SCHEMBL631455

SCHEMBL631455

CC1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
CYP2C19 P33261 1/20 0.56
KDM1A O60341 2/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
HTT P42858 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
ENPP2 Q13822 1/20 0.49
ATXN2 Q99700 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL630354 0.95 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15399318 0.92 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15399147 0.92 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL632679 0.92 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29365580 0.88 SMN1; SMN2 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL566838 0.87 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL629912 0.87 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1709936 0.86 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31468184 0.86 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL28474414 0.86 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 EP disclosed
CN-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 CN disclosed
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
WO-2022171745-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-08-18 WO disclosed
CN-114007695-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2022-02-01 CN disclosed
CN-104961723-A 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LAB 2015-10-07 CN disclosed
CN-101155797-B 1H-benzimidazole-4-carboxamide compounds substituted at the 2-position with a quaternary carbon atom are potent PARP inhibitors ABBOTT LAB 2015-04-29 CN disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
EP-2420234-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS PARP INHIBITORS FOR USE IN TREATING CANCER ABBOTT LAB (US) 2013-07-10 EP disclosed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-7550603-B2 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-06-23 US disclosed
CN-101155797-A 1H-benzimidazole-4-carboxamide compounds substituted at the 2-position with a quaternary carbon atom are potent PARP inhibitors ABBOTT LAB (US) 2008-04-02 CN disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 US disclosed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP disclosed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO disclosed
EP-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 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 (4 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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 MEN1 928/4885KMT2A 92/4885NPSR1 628/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 MEN1 3097/4885KMT2A 595/4885NPSR1 4421/4885
US-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 MEN1 1845/4885KMT2A 3265/4885NPSR1 37/4885
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 MEN1 22/4885KMT2A 3866/4885NPSR1 103/4885

“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.