SCHEMBL104318

SCHEMBL104318

COc1cc(C#N)ccc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.49
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
BRPF3 Q9ULD4 1/20 0.42
TRPV4 Q9HBA0 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
CYP11B2 P19099 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
CYP11B1 P15538 1/20 0.39
KDM1A O60341 1/20 0.38
DHFR P00374 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
HPGDS O60760 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23666045 0.86 AR (0.46) ARBRD1BRPF1BRD9BRPF3
SCHEMBL523615 0.85 AR (0.49) ARBRD1BRPF1BRD9BRPF3
SCHEMBL19117523 0.84 ICMT (0.46) ARTRPV4DHFRMEN1KMT2A
SCHEMBL1793475 0.84 AR (0.47) ARTRPV4CYP11B2EGLN2CYP11B1
SCHEMBL22796911 0.83 AR (0.44) ARBRD1BRPF1BRD9BRPF3
SCHEMBL16959299 0.81 GAA (0.40) ARPOLBGAAGFERMEN1
SCHEMBL14539394 0.81 AR (0.45) ARTRPV4GAACYP11B2EGLN2
SCHEMBL22796684 0.80 AR (0.42) ARBRD1BRPF1BRD9BRPF3
SCHEMBL13377029 0.78 CYP2A6 (0.41) TRPV4PTGDR2IMPDH2IMPDH1ALDH1A1
SCHEMBL509522 0.78 AR (0.66) ARCYP11B2EGLN2CYP11B1KDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20230381335-A1 LUNG CANCER COMBINATION THERAPY WITH IL-2 CONJUGATES AND AN ANTI-PD-1 ANTIBODY OR ANTIGEN-BINDING FRAGMENT THEREOF SYNTHORX INC (US) 2023-11-30 US disclosed
WO-2023192348-A1 CONFORMATIONALLY GATED OPTOELECTRONIC MOLECULAR RECTIFIERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-10-05 WO disclosed
WO-2023109968-A2 SYNTHESIS METHOD FOR FINERENONE AND INTERMEDIATE THEREOF 上海鼎雅药物化学科技有限公司 2023-06-22 WO disclosed
WO-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed
US-20220016252-A1 IMMUNO ONCOLOGY COMBINATION THERAPY WITH IL-2 CONJUGATES AND ANTI-EGFR ANTIBODIES Synthorx, Inc. (US) 2022-01-20 US disclosed
US-20210222147-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF SANOFI (FR) 2021-07-22 US disclosed
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-24 US disclosed
US-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-02-04 US disclosed
US-20200392550-A1 REAGENTS AND METHODS FOR REPLICATION, TRANSCRIPTION, AND TRANSLATION IN SEMI-SYNTHETIC ORGANISMS THE SCRIPPS RESEARCH INSTITUTE 2020-12-17 US disclosed
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 US disclosed
US-20200040027-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE 2020-02-06 US disclosed
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2019-04-11 US disclosed
US-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-07 US disclosed
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 US disclosed
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-11-23 US disclosed
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
EP-1979314-B1 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2013-01-09 EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 AR 558/4885BRD1 1373/4885BRPF1 2350/4885
US-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 AR 274/4885BRD1 1013/4885BRPF1 3385/4885
US-20220016252-A1 IMMUNO ONCOLOGY COMBINATION THERAPY WITH IL-2 CONJUGATES AND ANTI-EGFR ANTIBODIES IL2, IL2RA, EGFR AR 938/4885BRD1 3667/4885BRPF1 4048/4885
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 AR 274/4885BRD1 1013/4885BRPF1 3385/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 AR 4609/4885BRD1 3387/4885BRPF1 1490/4885
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 AR 274/4885BRD1 1013/4885BRPF1 3385/4885
US-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors GLRA1, AGXT, B4GALT1 AR 2083/4885BRD1 1559/4885BRPF1 1545/4885
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 AR 274/4885BRD1 1013/4885BRPF1 3385/4885
US-20200040027-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES RNGTT, POLM, POLRMT AR 3211/4885BRD1 2766/4885BRPF1 1885/4885
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS GLRA1, AGXT, B4GALT1 AR 2083/4885BRD1 1559/4885BRPF1 1545/4885
US-20200392550-A1 REAGENTS AND METHODS FOR REPLICATION, TRANSCRIPTION, AND TRANSLATION IN SEMI-SYNTHETIC ORGANISMS RNGTT, MAX, POLRMT AR 3475/4885BRD1 2516/4885BRPF1 1411/4885
US-20230381335-A1 LUNG CANCER COMBINATION THERAPY WITH IL-2 CONJUGATES AND AN ANTI-PD-1 ANTIBODY OR ANTIGEN-BINDING FRAGMENT THEREOF IL2, PDCD1LG2, CD274 AR 2249/4885BRD1 1701/4885BRPF1 2664/4885
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 AR 274/4885BRD1 1013/4885BRPF1 3385/4885
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 AR 274/4885BRD1 1013/4885BRPF1 3385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.