SCHEMBL436986

SCHEMBL436986

O=C(O)N1CC=C(c2nc3ccc(Cl)cc3n3cnnc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP7 P55210 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL404093 0.86 EED (0.46) HRH4HRH3TP53KMT2AKDM4E
SCHEMBL405623 0.83 HRH4 (0.59) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL404071 0.75 HRH4 (0.49) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL1846346 0.69 HRH4 (0.50) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL405269 0.69 HRH4 (0.60) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL13457829 0.69 ENPP2 (0.44)
SCHEMBL15556551 0.68 CNR1 (0.63) MAPTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL10848030 0.68 TP53 (0.59) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL10013927 0.66 HRH4 (0.78) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL404405 0.65 HRH4 (0.66) HRH4HRH3TP53MAPTSMN1; SMN2

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885TP53 3565/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885TP53 3565/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885TP53 3565/4885

“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.