SCHEMBL987520

SCHEMBL987520

CCOc1ccc2c(c1)CCN(C(C)=O)C2c1cc(Cl)c(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
MTNR1B P49286 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
EDNRA P25101 2/20 0.44
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GRIN2C Q14957 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL986456 0.93 EDNRA (0.49) MEN1KMT2ATSHRMTNR1BTRPV1
SCHEMBL4669565 0.91 TSHR (0.53) MEN1KMT2ATSHRMTNR1BTRPV1
SCHEMBL985919 0.85 PDE4D (0.45) MTNR1BEDNRALMNACA1CA2
SCHEMBL987510 0.84 CA1 (0.48) MTNR1BTRPV1CA1CA2CA7
SCHEMBL987237 0.84 MTNR1B (0.51) MEN1KMT2ATSHRMTNR1BSMN1; SMN2
SCHEMBL985355 0.84 TSHR (0.58) MEN1KMT2ATSHRMTNR1BTRPV1
SCHEMBL985807 0.84 TSHR (0.47) MEN1KMT2ATSHRMTNR1BTRPV1
SCHEMBL986893 0.82 CA1 (0.41) KMT2AEDNRALMNACA1CA2
SCHEMBL4671224 0.81 MTNR1B (0.49) MEN1KMT2ATSHRMTNR1BTRPV1
SCHEMBL988915 0.80 CA1 (0.48) MTNR1BCA1CA2CA7CA9

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 MEN1 1041/4885KMT2A 1213/4885TSHR 42/4885

“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.