SCHEMBL6179719

SCHEMBL6179719

Cc1ccc([C@@H]2CCCN2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.55
CHRM2 P08172 5/20 0.50
CHRM5 P08912 5/20 0.50
CHRM3 P20309 5/20 0.50
CHRM4 P08173 4/20 0.50
CHRM1 P11229 4/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNA4 P43681 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL165154 1.00 MKNK1 (0.55) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL7992297 1.00 MKNK1 (0.55) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL3717223 0.94 MEN1 (0.51) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL8541954 0.92 MEN1 (0.50) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL7672102 0.92 MEN1 (0.50) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL11510901 0.89 MKNK1 (0.48) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL25625502 0.85 MAPT (0.48) MKNK1CHRNB2CHRNA4CYP2D6MEN1
SCHEMBL24775559 0.81 CHRNB2 (0.52) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL21507863 0.80 MEN1 (0.42) MKNK1CHRNB2CHRNA4CYP2D6MEN1
SCHEMBL6557404 0.79 CHRNB2 (0.50) MKNK1CHRM2CHRM5CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978311-B Cell apoptosis inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2024-05-31 CN disclosed
US-20220213077-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-07-07 US disclosed
US-11345664-B2 Process for the preparation of (S)-Netarsudil,its salts and polymorphs Micro Labs Ltd. (IN) 2022-05-31 US disclosed
US-20210094918-A1 PROCESS FOR THE PREPARATION OF (S)-NETARSUDIL,ITS SALTS AND POLYMORPHS Micro Labs Ltd. (IN) 2021-04-01 US disclosed
WO-2021001713-A1 PROCESS FOR THE PREPARATION OF (S)-NETARSUDIL, ITS SALTS & POLYMORPHS MICRO LABS LIMITED (IN) 2021-01-07 WO disclosed
WO-2020233618-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海有机化学研究所 (CN) 2020-11-26 WO disclosed
WO-2020233618-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海有机化学研究所 (CN) 2020-11-26 WO disclosed
US-20200231620-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2020-07-23 US disclosed
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS NIPPON SHINYAKU CO., LTD. (JP) 2017-05-25 US disclosed
US-9580413-B2 Substituted pyrrolidines as ROS tyrosine kinase inhibitors NIPPON SHINYAKU CO., LTD. (JP) 2017-02-28 US disclosed
US-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2015-06-04 US disclosed
EP-2857398-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2015-04-08 EP disclosed
EP-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1165510-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-02 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US disclosed
WO-2000058285-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (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-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL HRH4, CYP3A4, CYP3A5 MKNK1 4532/4885CHRM2 284/4885CHRM5 184/4885
US-20210094918-A1 PROCESS FOR THE PREPARATION OF (S)-NETARSUDIL,ITS SALTS AND POLYMORPHS VKORC1L1, CYP3A4, REN MKNK1 2491/4885CHRM2 1589/4885CHRM5 1719/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 MKNK1 1073/4885CHRM2 3571/4885CHRM5 3306/4885
US-20200231620-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION POLRMT, DCLRE1B, RNGTT MKNK1 4020/4885CHRM2 4780/4885CHRM5 4534/4885
US-11345664-B2 Process for the preparation of (S)-Netarsudil,its salts and polymorphs VKORC1L1, CYP3A4, REN MKNK1 2491/4885CHRM2 1589/4885CHRM5 1719/4885
US-20220213077-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF LITAF, TNF, BAD MKNK1 3471/4885CHRM2 4879/4885CHRM5 4878/4885

“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.