SCHEMBL2221054

SCHEMBL2221054

O=C(c1ccc2c(C(C3CCC3)(N3CCCCCC3)N3CCCCCC3)c[nH]c2c1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.50
HSD11B1 P28845 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
HTR2B P41595 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MGLL Q99685 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2217676 0.90 HRH3 (0.47) NPC1RAB9AHPGDALDH1A1MEN1
SCHEMBL2218779 0.87 MEN1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2219934 0.85 HRH3 (0.42) RAB9AHPGDALDH1A1MEN1LMNA
SCHEMBL2216415 0.85 HRH3 (0.41) NPC1RAB9AHPGDALDH1A1MEN1
SCHEMBL2216282 0.85 HRH3 (0.54) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL2217841 0.78 AVPR1A (0.58) AVPR1AHSD11B1CA12CA1CA2
SCHEMBL2218471 0.73 HRH3 (0.63) AVPR1ATRPV6ALDH1A1LMNAHRH3
SCHEMBL2219021 0.72 HRH3 (0.74) AVPR1ATRPV6ALDH1A1LMNAHRH3
SCHEMBL2218502 0.70 HRH3 (0.71) AVPR1ATRPV6ALDH1A1LMNAHRH3
SCHEMBL2221050 0.70 HRH3 (0.71) AVPR1ATRPV6ALDH1A1LMNAHRH3

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 4 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 claimed
EP-2125720-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
WO-2008109333-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO claimed
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US 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 1977/4885HSD11B1 2857/4885CA12 3113/4885

“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.