SCHEMBL986893

SCHEMBL986893

CCOc1ccc2c(c1)CCN(C#N)C2c1cc(Cl)c(OC)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA7 P43166 1/20 0.41
EDNRA P25101 2/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
DRD1 P21728 2/20 0.37
KMT2A Q03164 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL988435 0.93 CA1 (0.45) CA1CA2CA9CA14CA7
SCHEMBL4669558 0.91 CA1 (0.45) CA1CA2CA9CA14CA7
SCHEMBL983650 0.84 CA1 (0.47) CA1CA2CA9CA14CA7
SCHEMBL988024 0.84 CA1 (0.47) CA1CA2CA9CA14CA7
SCHEMBL985919 0.84 PDE4D (0.45) CA1CA2CA9CA14CA7
SCHEMBL986382 0.84 CA1 (0.48) CA1CA2CA9CA14CA7
SCHEMBL985807 0.83 TSHR (0.47) CA1CA2CA9CA14CA7
SCHEMBL987520 0.82 MEN1 (0.45) CA1CA2CA9CA14CA7
SCHEMBL987509 0.80 CA1 (0.47) CA1CA2CA9CA14CA7
SCHEMBL987212 0.79 PARP1 (0.39) LMNADRD1KMT2A

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 CA1 3524/4885CA2 3861/4885CA9 4686/4885

“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.