SCHEMBL2217841

SCHEMBL2217841

O=Cc1c[nH]c2cc(C(=O)N3CCC(c4ccccc4)CC3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.58
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
TRPV6 Q9H1D0 1/20 0.47
HSD11B1 P28845 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
TPSAB1 Q15661 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42

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
SCHEMBL17443637 0.79 HRH3 (0.56) PLGPLAUALDH1A1HRH3
SCHEMBL2221054 0.78 AVPR1A (0.50) AVPR1ACA12CA1CA2CA7
SCHEMBL2219021 0.77 HRH3 (0.74) AVPR1ATRPV6KDM4EALDH1A1HRH3
SCHEMBL2218872 0.76 HRH3 (0.62) PLGPLAUKDM4EALDH1A1HRH3
Fluorobenzene SCHEMBL27517444 0.76 RAB9A (0.50) PLGPLAURAB9AKDM4EALDH1A1
SCHEMBL2220994 0.76 HRH3 (0.70) AVPR1ATRPV6KDM4EALDH1A1HRH3
SCHEMBL10720211 0.75 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL2218502 0.75 HRH3 (0.71) AVPR1ATRPV6KDM4EALDH1A1HRH3
SCHEMBL2217807 0.75 DRD2 (0.56) AVPR1ACA12CA1CA2CA7
SCHEMBL2221050 0.75 HRH3 (0.71) AVPR1ATRPV6KDM4EALDH1A1HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
CN-101679249-A As histamine H 3The indoles of receptor modulators and benzothienyl compounds JANSSEN PHARMACEUTICA NV 2010-03-24 CN disclosed

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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 AVPR1A 1977/4885CA12 3113/4885CA1 2970/4885

“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.