SCHEMBL987136

SCHEMBL987136

COc1ccc2c(c1OC)CCN(C(C)=O)C2c1cc(Br)cc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HHAT Q5VTY9 1/20 0.41
MTNR1B P49286 2/20 0.40
MTNR1A P48039 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL986756 0.90 PARP1 (0.45) PARP1TSHRSMN1; SMN2HHATMTNR1B
SCHEMBL983328 0.88 TSHR (0.47) PARP1TSHRSMN1; SMN2HHATMTNR1B
SCHEMBL986563 0.87 TRPV1 (0.46) PARP1TSHRSMN1; SMN2HHATMTNR1B
SCHEMBL986059 0.85 TRPV1 (0.42) PARP1TSHRSMN1; SMN2HHATTRPV1
SCHEMBL985590 0.81 PARP1 (0.43) PARP1TSHRMTNR1BMTNR1ACA1
SCHEMBL987146 0.79 PARP1 (0.41) PARP1TSHR
SCHEMBL987511 0.77 CA1 (0.54) TSHRMTNR1BMTNR1AMEN1KMT2A
SCHEMBL985355 0.72 TSHR (0.58) TSHRSMN1; SMN2MTNR1BMTNR1ATRPV1
SCHEMBL4669537 0.72 SMN1; SMN2 (0.50) TSHRSMN1; SMN2MTNR1BTRPV1MEN1
SCHEMBL4671222 0.71 TSHR (0.57) TSHRSMN1; SMN2MTNR1BMTNR1AMEN1

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 PARP1 2752/4885TSHR 42/4885SMN1; SMN2 2431/4885

“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.