SCHEMBL986563

SCHEMBL986563

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.46
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
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LHCGR P22888 3/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MTNR1B P49286 1/20 0.39

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) TRPV1PARP1TSHRSMN1; SMN2HHAT
SCHEMBL986059 0.89 TRPV1 (0.42) TRPV1PARP1TSHRSMN1; SMN2HHAT
SCHEMBL983328 0.88 TSHR (0.47) TRPV1PARP1TSHRSMN1; SMN2HHAT
SCHEMBL987136 0.87 PARP1 (0.42) TRPV1PARP1TSHRSMN1; SMN2HHAT
SCHEMBL986042 0.81 PARP1 (0.43) TRPV1PARP1TSHRALDH1A1LMNA
SCHEMBL4240501 0.80 TP53 (0.39) TRPV1TSHRSMN1; SMN2HHATMEN1
SCHEMBL986031 0.79 PARP1 (0.41) TRPV1PARP1TSHRMEN1KMT2A
SCHEMBL985641 0.77 CA1 (0.54) TRPV1TSHRLHCGRALDH1A1LMNA
SCHEMBL4669565 0.72 TSHR (0.53) TRPV1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL985355 0.72 TSHR (0.58) TRPV1TSHRSMN1; SMN2MEN1KMT2A

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 TRPV1 3607/4885PARP1 2752/4885TSHR 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.