SCHEMBL987510

SCHEMBL987510

CCOc1ccc2c(c1)CCN(C(C)=O)C2c1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CA12 O43570 1/20 0.46
PPARD Q03181 1/20 0.44
MCHR1 Q99705 1/20 0.44
MTNR1B P49286 1/20 0.44
GRIN2C Q14957 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL985641 0.88 CA1 (0.54) CA1CA2CA7CA9CA14
SCHEMBL988915 0.87 CA1 (0.48) CA1CA2CA7CA9CA14
SCHEMBL987237 0.87 MTNR1B (0.51) CA1CA2CA7CA9CA14
SCHEMBL987520 0.84 MEN1 (0.45) CA1CA2CA7CA9CA14
SCHEMBL986456 0.84 EDNRA (0.49) CA1CA2CA7CA9CA14
SCHEMBL987586 0.81 CA1 (0.49) CA1CA2CA7CA9CA14
SCHEMBL988024 0.79 CA1 (0.47) CA1CA2CA7CA9CA14
SCHEMBL4240501 0.79 TP53 (0.39) ESR1ESR2TRPV1
SCHEMBL985851 0.77 MTNR1B (0.56) CA1CA2CA7CA9CA14
SCHEMBL4673800 0.77 MTNR1B (0.52) CA1CA2CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875631-B2 e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed ANALYTECON S.A. (CH) 2011-01-25 US claimed
EP-1732898-B1 TETRAHYDROISOQUINOLINE- AND TETRAHYDROBENZAZEPINE DERIVATIVES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2008-01-23 EP claimed
US-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors ANALYTECON S.A. (CH) 2007-06-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors IGF1R, INSR, GPR119 CA1 3524/4885CA2 3861/4885CA7 4567/4885

“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.