SCHEMBL998281

SCHEMBL998281

c1ccc2c3c([nH]c2c1)C1(CCCC1)NCC3

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.94
OPRM1 P35372 7/20 0.66
OGFRL1 Q5TC84 5/20 0.66
OPRL1 P41146 3/20 0.66
KMT2A Q03164 4/20 0.58
CFTR P13569 5/20 0.55
MEN1 O00255 3/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
CRHBP P24387 1/20 0.49
MAPK1 P28482 1/20 0.49
CRHR2 Q13324 1/20 0.49
CDK8 P49336 1/20 0.48
NTRK3 Q16288 1/20 0.48
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HTR5A P47898 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
NR2E1 Q9Y466 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
SCHEMBL8323918 0.98 LMNA (0.97) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL6749604 0.89 LMNA (0.76) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL27016538 0.84 LMNA (0.69) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL10051501 0.84 LMNA (0.69) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL10051500 0.84 LMNA (0.69) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL6274438 0.84 LMNA (0.68) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL14500101 0.82 LMNA (0.66) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL10038853 0.80 OPRM1 (1.00) LMNAOPRM1OGFRL1OPRL1
SCHEMBL3564418 0.80 OPRM1 (0.77) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL517133 0.80 OPRM1 (1.00) LMNAOPRM1OGFRL1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-16 US disclosed
US-8952158-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-02-10 US disclosed
EP-1829874-B1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-02-12 EP disclosed
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 US disclosed
US-8476293-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US disclosed
US-7964726-B2 1-(1,3-benzodioxol-5-yl)-N-(3,5-dimethylphenyl)-1,9-dihydrospiro[ beta -carboline-4,1'-cyclopropane]-2(3H)-carboxamide; mitochondrial benzodiazepine receptor modulator; digestive system disease caused by stress: irritable bowel syndrome, ulcerative colitis, or Crohn's disease ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-21 US disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20100267778-A1 Diphenyl ether compound, process for producing the same, and use ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US disclosed
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
EP-1829874-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 EP disclosed
US-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1739081-A1 HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-03 EP disclosed
EP-1724264-A1 NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-22 EP disclosed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
EP-1661879-A1 DIPHENYL ETHER COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 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-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 LMNA 1924/4885OPRM1 1308/4885OGFRL1 2842/4885
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates MTNR1A, GSR, NLN LMNA 1322/4885OPRM1 309/4885OGFRL1 628/4885
US-20100267778-A1 Diphenyl ether compound, process for producing the same, and use PPARG, PPARD, PPARA LMNA 1343/4885OPRM1 1315/4885OGFRL1 1905/4885
US-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient CTRL, NOS1, CPN1 LMNA 1613/4885OPRM1 1667/4885OGFRL1 2489/4885
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS LMNA 528/4885OPRM1 1743/4885OGFRL1 2821/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 LMNA 1924/4885OPRM1 1308/4885OGFRL1 2842/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 LMNA 1924/4885OPRM1 1308/4885OGFRL1 2842/4885
US-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR LMNA 2970/4885OPRM1 171/4885OGFRL1 637/4885

“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.