SCHEMBL2970487

SCHEMBL2970487

COc1ccc2c(c1)C(C)CCC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.62
HTR2A P28223 1/20 0.62
HTR2B P41595 1/20 0.62
SIGMAR1 Q99720 2/20 0.54
CHRNA7 P36544 1/20 0.51
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MTNR1B P49286 1/20 0.49
GID4 Q8IVV7 1/20 0.49
MTNR1A P48039 1/20 0.48
CYP19A1 P11511 2/20 0.48
CYP11B1 P15538 1/20 0.48

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
SCHEMBL13306289 1.00 HTR2C (0.62) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL6797994 1.00 HTR2C (0.62) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL12593301 0.89 HTR2C (0.66) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL13306290 0.89 HTR2C (0.66) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL13306294 0.89 HTR2C (0.66) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL31650156 0.86 HTR2C (0.60) HTR2CSIGMAR1CHRNA7GID4CYP19A1
SCHEMBL8983524 0.86 HTR2C (0.60) HTR2CSIGMAR1CHRNA7GID4CYP19A1
SCHEMBL13273185 0.86 HTR2C (0.60) HTR2CSIGMAR1CHRNA7GID4CYP19A1
SCHEMBL6797543 0.81 MTNR1B (0.51) HTR2CHTR2AHTR2BSIGMAR1CHRNA7
SCHEMBL9775105 0.81 CHRNA7 (0.50) HTR2CHTR2AHTR2BSIGMAR1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133059-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE Oryzon Genomics, S.A. (ES) 2017-02-22 EP disclosed
EP-2185526-B1 FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-10-05 EP disclosed
EP-1924565-B1 DIAMINOPYRIMIDINES AS P2X3 AND P3X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2016-09-14 EP disclosed
EP-1924565-B1 DIAMINOPYRIMIDINES AS P2X3 AND P3X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2016-09-14 EP disclosed
US-8633193-B2 Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds NOVARTIS AG (CH) 2014-01-21 US disclosed
US-8334390-B2 Fungicide N-cycloalkyl-N-bicyclic-carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-12-18 US disclosed
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-05-19 US disclosed
US-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 US disclosed
US-7776872-B2 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776872-B2 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-20070049610-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049610-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049610-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20060287387-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-21 US disclosed
US-7144885-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-05 US disclosed
US-20050165042-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disoroders BAYER HEALTHCARE LLC 2005-07-28 US disclosed
EP-1478639-A1 FUSED TRICYCLIC HETEROCYCLES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2004-11-24 EP disclosed
WO-2003072566-A1 FUSED TRICYCLIC HETEROCYCLES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-09-04 WO disclosed
US-5550284-A Production method for alkoxynaphthalenecarboxylic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0645361-A1 Production method for alkoxynaphthalenecarboxylic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1995-03-29 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 (4 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-20070049610-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators P2RX3, P2RX6, P2RX2 HTR2C 803/4885HTR2A 521/4885HTR2B 389/4885
US-20060287387-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders MKI67, CCNA2, CDK4 HTR2C 2904/4885HTR2A 3304/4885HTR2B 3456/4885
US-20050165042-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disoroders MKI67, CCNI, PCNA HTR2C 2745/4885HTR2A 3245/4885HTR2B 3085/4885
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS C5AR1, C5AR2, C3AR1 HTR2C 465/4885HTR2A 464/4885HTR2B 248/4885

“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.