SCHEMBL987212

SCHEMBL987212

COc1cc(C2c3ccc(OC)c(OC)c3CCN2C#N)cc(Cl)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
MAOB P27338 1/20 0.35
DRD1 P21728 7/20 0.34
DRD2 P14416 6/20 0.34
DRD3 P35462 4/20 0.34
F3 P13726 3/20 0.34
DRD5 P21918 3/20 0.34
SIGMAR1 Q99720 2/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL986803 0.92 PARP1 (0.36) PARP1MAOBDRD1DRD2DRD3
SCHEMBL986031 0.89 PARP1 (0.41) PARP1MAOBDRD1DRD2DRD3
SCHEMBL983331 0.85 PARP1 (0.41) PARP1MAOBDRD1DRD2DRD3
SCHEMBL987146 0.84 PARP1 (0.41) PARP1MAOBDRD1DRD2DRD3
SCHEMBL4669558 0.83 CA1 (0.45) DRD1DRD2DRD3DRD5DRD4
SCHEMBL986059 0.80 TRPV1 (0.42) PARP1LMNATSHRMEN1KMT2A
SCHEMBL986893 0.79 CA1 (0.41) DRD1LMNAKMT2A
SCHEMBL986382 0.74 CA1 (0.48) DRD1DRD2DRD3DRD5DRD4
SCHEMBL983212 0.74 PARP1 (0.46) PARP1MAOBDRD1DRD2DRD3
SCHEMBL986042 0.71 PARP1 (0.43) PARP1MAOBDRD1DRD2DRD3

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 2752/4885MAOB 1990/4885DRD1 502/4885

“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.