SCHEMBL5987740

SCHEMBL5987740

CC(=O)NC1(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HTT P42858 1/20 0.46
SSTR4 P31391 1/20 0.45
OPRM1 P35372 3/20 0.44
OPRL1 P41146 3/20 0.44
OPRK1 P41145 1/20 0.44
ALOX15 P16050 1/20 0.44
VNN1 O95497 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TACR3 P29371 1/20 0.43
AKR1C1 Q04828 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20738594 0.92 POLB (0.61) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13626300 0.92 POLB (0.61) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11692509 0.91 POLB (0.60) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6158885 0.88 POLB (0.57) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2231946 0.88 POLB (0.57) POLBALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL2479293 0.86 POLB (0.56) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14000285 0.86 POLB (0.68) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13774961 0.85 ALDH1A1 (0.71) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2363242 0.83 HTT (0.48) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20738519 0.83 ALDH1A1 (0.57) POLBALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
CN-110143999-A Have cytotoxicity and antimitotic compound and its application method 酵活有限公司 2019-08-20 CN disclosed
CN-105358174-B Cytotoxic and antimitotic compounds and methods of use thereof 酵活有限公司 2019-03-15 CN disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
CN-106459162-A VAR2CSA-drug conjugates 酵活有限公司 2017-02-22 CN disclosed
EP-3087091-A1 VAR2CSA-DRUG CONJUGATES Zymeworks Inc. (CA) 2016-11-02 EP disclosed
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed
WO-2009124962-A2 SULFONAMIDES MERCK SERONO S.A. (CH) 2009-10-15 WO disclosed
US-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
CN-1145609-C Piperazine compounds and medical use thereof ������ҩ��ʽ���� 2004-04-14 CN disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 CN disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP 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 (8 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 POLB 2980/4885ALDH1A1 1598/4885KDM4E 1101/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC POLB 2951/4885ALDH1A1 1148/4885KDM4E 3963/4885
US-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 POLB 2833/4885ALDH1A1 710/4885KDM4E 2185/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 POLB 2842/4885ALDH1A1 788/4885KDM4E 2169/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA POLB 2711/4885ALDH1A1 1148/4885KDM4E 1862/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 POLB 2980/4885ALDH1A1 1598/4885KDM4E 1101/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 POLB 2983/4885ALDH1A1 1601/4885KDM4E 1086/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 POLB 2980/4885ALDH1A1 1598/4885KDM4E 1101/4885

“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.