SCHEMBL1813588

SCHEMBL1813588

COC(=O)C=C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GRM5 P41594 1/20 0.53
HTT P42858 1/20 0.52
HDAC2 Q92769 1/20 0.52
CYP2C19 P33261 1/20 0.51
TMEM97 Q5BJF2 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
GRIN2B Q13224 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM1A O60341 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL10252734 0.93 TMEM97 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2797469 0.89 GRM5 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29051644 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7311393 0.87 MEN1 (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7299068 0.86 MEN1 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL22284351 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9572627 0.84 MEN1 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9218512 0.84 MEN1 (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15713529 0.81 MEN1 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL34474699 0.81 GRM5 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940133-A Therapeutic agents for degradation of mutant BRAF C4医药公司 2024-04-26 CN disclosed
EP-4351583-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 Therapeutics, Inc. (US) 2024-04-17 EP disclosed
WO-2022261250-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed
EP-3292110-B1 N-PIPERIDIN-4-YL DERIVATIVES MERCK SHARP & DOHME (NL) 2019-08-21 EP disclosed
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
EP-3292110-A1 N-PIPERIDIN-4-YL DERIVATIVES Merck Sharp & Dohme B.V. (NL) 2018-03-14 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
WO-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed
EP-1861399-A2 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-12-05 EP disclosed
EP-1802637-A1 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-07-04 EP disclosed
EP-1799672-A2 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-06-27 EP disclosed
WO-2007016087-A2 HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2006099268-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-09-21 WO disclosed
WO-2006044504-A1 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-04-27 WO disclosed
WO-2006041830-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-04-20 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 (2 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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 SMN1; SMN2 3846/4885NPC1 3286/4885RAB9A 1303/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR SMN1; SMN2 3467/4885NPC1 488/4885RAB9A 1461/4885

“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.