SCHEMBL986803

SCHEMBL986803

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
PDE4D Q08499 4/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
HTT P42858 1/20 0.33
MTNR1B P49286 2/20 0.32
MTNR1A P48039 1/20 0.32
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAOB P27338 1/20 0.31
FKBP1A P62942 1/20 0.31
GAA P10253 1/20 0.30
F3 P13726 2/20 0.30
CYP3A4 P08684 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30

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
SCHEMBL987212 0.92 PARP1 (0.39) PARP1ALDH1A1TSHRMAOBGAA
SCHEMBL983212 0.86 PARP1 (0.46) PARP1ALDH1A1MTNR1BMTNR1ATSHR
SCHEMBL986031 0.81 PARP1 (0.41) PARP1ALDH1A1TSHRMAOBF3
SCHEMBL986042 0.81 PARP1 (0.43) PARP1PDE4DALDH1A1PDE4APDE4B
SCHEMBL985593 0.78 PARP1 (0.44) PARP1PDE4DALDH1A1MTNR1BMTNR1A
SCHEMBL983331 0.78 PARP1 (0.41) PARP1TSHRMAOBF3CYP3A4
SCHEMBL4240495 0.77 ACHE (0.39) PARP1ALDH1A1MTNR1BMTNR1AF3
SCHEMBL987146 0.77 PARP1 (0.41) PARP1TSHRMAOBF3CYP3A4
SCHEMBL985590 0.77 PARP1 (0.43) PARP1PDE4DALDH1A1MTNR1BMTNR1A
SCHEMBL13878847 0.77 SRC (0.40) PARP1ALDH1A1MTNR1BMTNR1ATSHR

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 2752/4885PDE4D 3153/4885ALDH1A1 3424/4885

“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.