SCHEMBL8320293

SCHEMBL8320293

CC(C)C[C@@H]1CCCN1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39

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
SCHEMBL439594 1.00 CYP1A2 (0.44) CYP1A2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL6960581 1.00 CYP1A2 (0.44) CYP1A2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL12090069 0.93 CYP1A2 (0.52) CYP1A2CHRNB4CHRNA3
SCHEMBL12985779 0.93 CYP1A2 (0.52) CYP1A2CHRNB4CHRNA3
SCHEMBL12089498 0.93 CYP1A2 (0.52) CYP1A2CHRNB4CHRNA3
SCHEMBL17834046 0.86
SCHEMBL21859507 0.86
SCHEMBL17834044 0.86
SCHEMBL23634572 0.83 CYP1A2 (0.41) CYP1A2
SCHEMBL22485709 0.83 CYP1A2 (0.41) CYP1A2CHRNB4CHRNA3

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250074-A1 PROCESS FOR SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2023-08-10 US disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-08-25 US disclosed
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2022-03-17 US disclosed
US-20220056022-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2022-02-24 US disclosed
US-11084812-B2 RAD51 inhibitors CYTEIR THERAPEUTICS, INC. (US) 2021-08-10 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
WO-2005002577-A1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO 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 (16 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-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS COQ8A, SQSTM1, QARS1 CYP1A2 89/4885CHRNB4 348/4885CHRNA3 168/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 CYP1A2 747/4885CHRNB4 4010/4885CHRNA3 3042/4885
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CYP1A2 1383/4885CHRNB4 281/4885CHRNA3 184/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 CYP1A2 1463/4885CHRNB4 1151/4885CHRNA3 468/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 747/4885CHRNB4 4010/4885CHRNA3 3042/4885
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF IL1B, IL1A, CASP1 CYP1A2 715/4885CHRNB4 4883/4885CHRNA3 4876/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 747/4885CHRNB4 4010/4885CHRNA3 3042/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R CYP1A2 2364/4885CHRNB4 666/4885CHRNA3 369/4885
US-20230250074-A1 PROCESS FOR SYNTHESIS OF QUINAZOLINE COMPOUNDS HCCS, NQO2, SQLE CYP1A2 81/4885CHRNB4 2720/4885CHRNA3 2730/4885
US-20220056022-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L CYP1A2 4381/4885CHRNB4 3632/4885CHRNA3 4130/4885
US-11084812-B2 RAD51 inhibitors RAD51, MRE11, RAD54L CYP1A2 4381/4885CHRNB4 3632/4885CHRNA3 4130/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 747/4885CHRNB4 4010/4885CHRNA3 3042/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS CYP1A2 1287/4885CHRNB4 4848/4885CHRNA3 4659/4885
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CYP1A2 3378/4885CHRNB4 4547/4885CHRNA3 4580/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 747/4885CHRNB4 4010/4885CHRNA3 3042/4885
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CYP1A2 3378/4885CHRNB4 4547/4885CHRNA3 4580/4885

“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.