SCHEMBL6359193

SCHEMBL6359193

CCC(=O)NC1Cc2ccccc2C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 8/20 0.79
▸ MTNR1B P49286 8/20 0.79
▸ MAPT P10636 2/20 0.63
▸ CYP1A2 P05177 2/20 0.62
▸ ALOX15 P16050 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ CA12 O43570 1/20 0.60
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ CA7 P43166 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ CA14 Q9ULX7 1/20 0.60
▸ GRM7 Q14831 3/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.55
▸ CYP2C9 P11712 1/20 0.54

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
SCHEMBL827706 0.89 MTNR1A (1.00) MTNR1AMTNR1BMAPTCYP1A2ALOX15
SCHEMBL4112887 0.89 MTNR1A (1.00) MTNR1AMTNR1BMAPTCYP1A2ALOX15
SCHEMBL2597383 0.89 MTNR1A (1.00) MTNR1AMTNR1BMAPTCYP1A2ALOX15
SCHEMBL9731832 0.85 MTNR1A (0.91) MTNR1AMTNR1BMAPTCYP1A2ALOX15
SCHEMBL18263517 0.84 MTNR1A (0.59) MTNR1AMTNR1BMAPTCYP1A2ALOX15
SCHEMBL6559473 0.82 CA1 (0.68) MTNR1AMTNR1BMAPTCYP1A2ALOX15
SCHEMBL4865313 0.81 MTNR1A (0.79) MTNR1AMTNR1BMAPTKMT2AGRM7
SCHEMBL1628829 0.81 MAPT (0.63) MTNR1AMTNR1BMAPTCYP1A2ALOX15
SCHEMBL27731471 0.81 MAPT (0.63) MTNR1AMTNR1BMAPTCYP1A2ALOX15
SCHEMBL8569805 0.81 EPHX2 (0.64) MTNR1AMTNR1BMAPTCYP1A2ALOX15

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 24 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
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 — — US disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 — — US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 — — US disclosed
WO-2011143772-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 — — WO disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — US disclosed
EP-1091946-A1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTRÖM, Hakan Vilhelm (NL) 2001-04-18 — — EP disclosed
WO-2000001680-A1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTROEM HAKAN VILHELM (NL) 2000-01-13 — — WO disclosed
EP-0579059-B1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-12 — — EP disclosed
US-5605901-A THERAPY FOR GRAM-NEGATIVE BACTERIA, NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-02-25 — — US disclosed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 — — US disclosed
EP-0661274-A1 Indane derivatives, processes for preparing the same and synthetic intermediate of the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 — — EP disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 — — EP disclosed
US-5272157-A Derivatives of 4-(aminomethyl) piperidine, their preparation and their therapeutic application SYNTHELABO (FR) 1993-12-21 — — US disclosed
US-5179108-A Antiserotonin agents or cardiovascular disorders SYNTHELABO (FR) 1993-01-12 — — US disclosed
EP-0447292-A1 4-Aminomethyl-piperidine derivatives, their preparation and therapeutic application SYNTHELABO (FR) 1991-09-18 — — 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 (5 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 MTNR1A 41/4885MTNR1B 46/4885MAPT 3490/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 MTNR1A 823/4885MTNR1B 815/4885MAPT 458/4885
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, OPRL1 MTNR1A 79/4885MTNR1B 39/4885MAPT 3628/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 MTNR1A 41/4885MTNR1B 46/4885MAPT 3490/4885
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF ACE, ACE2, MME MTNR1A 2193/4885MTNR1B 1545/4885MAPT 633/4885

“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.

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