SCHEMBL987146

SCHEMBL987146

COc1ccc2c(c1OC)CCN(C#N)C2c1cc(Br)cc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
MAOB P27338 1/20 0.36
DRD1 P21728 9/20 0.35
DRD2 P14416 8/20 0.35
DRD3 P35462 4/20 0.35
F3 P13726 3/20 0.35
DRD5 P21918 3/20 0.35
SIGMAR1 Q99720 2/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
DRD4 P21917 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32

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
SCHEMBL983331 0.87 PARP1 (0.41) PARP1MAOBDRD1DRD2DRD3
SCHEMBL986031 0.86 PARP1 (0.41) PARP1MAOBDRD1DRD2DRD3
SCHEMBL987212 0.84 PARP1 (0.39) PARP1MAOBDRD1DRD2DRD3
SCHEMBL985590 0.80 PARP1 (0.43) PARP1MAOBDRD1DRD2DRD3
SCHEMBL987136 0.79 PARP1 (0.42) PARP1TSHR
SCHEMBL986803 0.77 PARP1 (0.36) PARP1MAOBDRD1DRD2DRD3
SCHEMBL983857 0.77 CA1 (0.52) DRD1DRD2DRD3DRD5DRD4
SCHEMBL986382 0.71 CA1 (0.48) DRD1DRD2DRD3DRD5DRD4
SCHEMBL983212 0.68 PARP1 (0.46) PARP1MAOBDRD1DRD2DRD3
SCHEMBL986756 0.68 PARP1 (0.45) PARP1LMNATSHR

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.