SCHEMBL2710657

SCHEMBL2710657

Cc1ccc(N2CCC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 1/20 0.47
F2 P00734 1/20 0.46
ELANE P08246 1/20 0.46
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
CTRC Q99895 1/20 0.46
LMNA P02545 2/20 0.46
AKR1C3 P42330 1/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.43
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
DRD2 P14416 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
SCHEMBL29930151 0.88 ALDH1A1 (0.62) ALDH1A1LMNAAKR1C3HTTSMN1; SMN2
SCHEMBL171739 0.88 ALDH1A1 (0.62) ALDH1A1LMNAAKR1C3HTTSMN1; SMN2
SCHEMBL609322 0.86 ALDH1A1 (0.56) ALDH1A1LMNAAKR1C3HTTSMN1; SMN2
SCHEMBL4461794 0.84 AKR1C3 (0.55) ALDH1A1LMNAAKR1C3HTTSMN1; SMN2
SCHEMBL6399679 0.81 DRD2 (0.43) ALOX5F2ELANECTSGCMA1
SCHEMBL25846387 0.80 DDB1 (0.60) ALDH1A1LMNAAKR1C3HTTSMN1; SMN2
SCHEMBL11933635 0.79 ALDH1A1 (0.53) ALDH1A1LMNAAKR1C3HTTSMN1; SMN2
SCHEMBL12615119 0.78 RAB9A (0.51) ALDH1A1LMNAAKR1C3HTTSMN1; SMN2
SCHEMBL18805067 0.78 RAB9A (0.51) ALDH1A1LMNAAKR1C3HTTSMN1; SMN2
SCHEMBL4240116 0.78 KMT2A (0.53) ALDH1A1AKR1C3SMN1; SMN2PKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
WO-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE 2023-06-22 US disclosed
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-09 US disclosed
WO-2022081895-A1 GLYCOCONJUGATES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2022-04-21 WO disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed
US-20210047277-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-02-18 US disclosed
WO-2019156439-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-08-15 WO disclosed
US-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 US disclosed
US-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 US disclosed
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 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 (6 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-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK ALOX5 1449/4885ALDH1A1 4519/4885F2 4165/4885
US-20210047277-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK ALOX5 1449/4885ALDH1A1 4519/4885F2 4165/4885
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SARS1, ACE2, ACE ALOX5 1676/4885ALDH1A1 4373/4885F2 2597/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL ALOX5 3323/4885ALDH1A1 2509/4885F2 4069/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK ALOX5 1449/4885ALDH1A1 4519/4885F2 4165/4885
US-20180072677-A1 Peptidomimetics and Methods of Using the Same OPRM1, OPRL1, OPRD1 ALOX5 2401/4885ALDH1A1 1575/4885F2 4151/4885

“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.