SCHEMBL117948

SCHEMBL117948

CC(C)(C)c1ccc(N2CCN(C(C)(C)C)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
OGA O60502 1/20 0.43
HPGD P15428 1/20 0.43
PANK3 Q9H999 2/20 0.43
SMO Q99835 1/20 0.43
POLB P06746 1/20 0.42
HSD11B1 P28845 4/20 0.42
HSD11B2 P80365 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
GLA P06280 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL19001112 0.89 OGA (0.54) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL2733659 0.87 MAPT (0.59) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL19001143 0.86 HSD11B1 (0.39) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL2733014 0.85 SMN1; SMN2 (0.50) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL13248473 0.84 KDM4E (0.51) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL9906416 0.84 TRPV1 (0.52) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL10331339 0.83 TRPV1 (0.51) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL13757422 0.81 MAPT (0.60) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL21419372 0.81 HRH3 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL19001113 0.81 MAPT (0.35) MAPTALDH1A1KDM4ESMN1; SMN2GAA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES YALE UNIVERSITY 2023-01-05 US disclosed
US-20220313829-A1 EGFR PROTEIN DEGRADANT AND ANTI-TUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-10-06 US disclosed
US-20220152215-A1 Immunoconjugates Targeting CEA BOLT BIOTHERAPEUTICS, INC. (US) 2022-05-19 US disclosed
US-20220143012-A1 Macromolecule-Supported TLR Agonists BOLT BIOTHERAPEUTICS, INC. (US) 2022-05-12 US disclosed
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2021-11-16 US disclosed
US-20200347061-A1 CLASS OF AMINO-SUBSTITUTED NITROGEN-CONTAINING FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2020-11-05 US disclosed
US-10807971-B2 Pyrrolidinone compounds ELI LILLY AND COMPANY (US) 2020-10-20 US disclosed
US-20200140556-A1 Methods and Compositions for Dectin-2 Stimulation and Cancer Immunotherapy HOWARD HUGHES MEDICAL INSTITUTE 2020-05-07 US disclosed
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES ARVINAS OPERATIONS, INC. 2020-04-30 US disclosed
US-20190345144-A1 PYRROLIDINONE COMPOUNDS ELI LILLY AND COMPANY 2019-11-14 US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 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 (12 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-20200347061-A1 CLASS OF AMINO-SUBSTITUTED NITROGEN-CONTAINING FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF FGFR4, FGFR3, FGFR1 MAPT 4112/4885ALDH1A1 1188/4885KDM4E 729/4885
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL MAPT 3617/4885ALDH1A1 2833/4885KDM4E 3116/4885
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E MAPT 3630/4885ALDH1A1 2635/4885KDM4E 1526/4885
US-20190345144-A1 PYRROLIDINONE COMPOUNDS NPY4R, NPY2R, NPY5R MAPT 4361/4885ALDH1A1 1579/4885KDM4E 177/4885
US-10807971-B2 Pyrrolidinone compounds NPY4R, NPY2R, NPY5R MAPT 4361/4885ALDH1A1 1579/4885KDM4E 177/4885
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides CRBN, ARAF, VHL MAPT 3617/4885ALDH1A1 2833/4885KDM4E 3116/4885
US-20200140556-A1 Methods and Compositions for Dectin-2 Stimulation and Cancer Immunotherapy TLR2, TLR8, TLR3 MAPT 2548/4885ALDH1A1 4668/4885KDM4E 3877/4885
US-20220313829-A1 EGFR PROTEIN DEGRADANT AND ANTI-TUMOR APPLICATION THEREOF EGFR, ERBB2, ERBB3 MAPT 2834/4885ALDH1A1 3472/4885KDM4E 4494/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E MAPT 3630/4885ALDH1A1 2635/4885KDM4E 1526/4885
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL MAPT 3617/4885ALDH1A1 2833/4885KDM4E 3116/4885
US-20220152215-A1 Immunoconjugates Targeting CEA CD47, FCGR3B, FCGR1A MAPT 3434/4885ALDH1A1 1242/4885KDM4E 3982/4885
US-20220143012-A1 Macromolecule-Supported TLR Agonists TLR8, TLR7, TLR9 MAPT 3090/4885ALDH1A1 2748/4885KDM4E 2497/4885

“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.