SCHEMBL227515

SCHEMBL227515

COc1cccc(CCl)c1.[MgH2]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
IDO1 P14902 2/20 0.58
AGXT P21549 2/20 0.58
CHRM2 P08172 3/20 0.55
CHRM1 P11229 2/20 0.55
CHRM3 P20309 2/20 0.55
SIGMAR1 Q99720 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CMA1 P23946 1/20 0.53
MAOB P27338 2/20 0.52
AOC3 Q16853 1/20 0.51
LPO P22079 1/20 0.50
TTR P02766 1/20 0.50

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
SCHEMBL228859 0.98 TAAR1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL29484318 0.98 TAAR1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL8365761 0.90 LMNA (0.56) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL8783991 0.90 TAAR1 (0.53) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL7508333 0.86 MAOB (0.54) TAAR1IDO1AGXTCHRM2CHRM3
SCHEMBL2937730 0.85 ALDH1A1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL8992966 0.85 LTA4H (0.53) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL5973608 0.84 SIGMAR1 (0.53) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL5341432 0.82 TAAR1 (0.67) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL18422515 0.80 TTR (0.46) TAAR1IDO1AGXTALDH1A1HTT

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
CN-118541354-A Benzo [ h ] quinazolin-4-amine derivatives for the treatment of cancer 雷多纳治疗公司 2024-08-23 CN disclosed
CN-116547280-A Benzo [ h ] quinazolin-4-amine and thieno [3,2-h ] quinazolin-4-amine derivatives for the treatment of cancer 雷多纳治疗公司 2023-08-04 CN disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 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 (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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 TAAR1 965/4885IDO1 2871/4885AGXT 4698/4885
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT TAAR1 2318/4885IDO1 1688/4885AGXT 3227/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 TAAR1 2806/4885IDO1 3438/4885AGXT 4813/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 TAAR1 923/4885IDO1 3622/4885AGXT 4692/4885

“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.