SCHEMBL986403

SCHEMBL986403

COc1cc(OC)cc(C2c3ccc(OC)cc3CCN2C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.52
CA1 P00915 12/20 0.52
CA2 P00918 12/20 0.52
CA9 Q16790 12/20 0.52
CA14 Q9ULX7 12/20 0.52
CA7 P43166 2/20 0.46
DRD2 P14416 3/20 0.43
DRD5 P21918 2/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 2/20 0.43
TAS2R14 Q9NYV8 1/20 0.42
CA12 O43570 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL983650 0.91 CA1 (0.47) DRD1CA1CA2CA9CA14
SCHEMBL983857 0.89 CA1 (0.52) DRD1CA1CA2CA9CA14
SCHEMBL987287 0.89 CA1 (0.52) DRD1CA1CA2CA9CA14
SCHEMBL986382 0.88 CA1 (0.48) DRD1CA1CA2CA9CA14
SCHEMBL4669558 0.83 CA1 (0.45) DRD1CA1CA2CA9CA14
SCHEMBL988435 0.79 CA1 (0.45) DRD1CA1CA2CA9CA14
SCHEMBL983331 0.78 PARP1 (0.41) DRD1DRD2DRD5DRD3DRD4
SCHEMBL986105 0.77 DRD1 (0.52) DRD1CA1CA2CA9CA14
SCHEMBL987509 0.76 CA1 (0.47) DRD1CA1CA2CA9CA14
SCHEMBL988024 0.76 CA1 (0.47) CA1CA2CA9CA14CA7

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 5 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
EP-1732898-A1 TETRAHYDROISOQUINOLINE- AND TETRAHYDROBENZAZEPINE DERIVATIVES AS IGF-1R INHIBITORS Analytecon S.A. (CH) 2006-12-20 EP claimed
WO-2005087743-A1 TETRAHYDROISOQUINOLINE-AND TETRAHYDROBENZAZEPINE DERIVATIVES AS IGF-1R INHIBITORS ANALYTECON S.A. (CH) 2005-09-22 WO 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 DRD1 502/4885CA1 3524/4885CA2 3861/4885

“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.