SCHEMBL405702

SCHEMBL405702

CB(O)N1CCN(c2nc3cc(Br)c(F)cc3n3cnnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.47
HRH3 Q9Y5N1 4/20 0.47
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 3/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.40
CREBBP Q92793 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CASP7 P55210 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
SCHEMBL406284 0.96 HRH4 (0.47) HRH4HRH3KMT2APOLBMAPK1
SCHEMBL406364 0.86 HRH4 (0.63) HRH4HRH3
SCHEMBL405708 0.81 HRH4 (0.57) HRH4HRH3KMT2APOLBMAPK1
SCHEMBL405214 0.81 HRH4 (0.64) HRH4HRH3
Hydrochloric Acid SCHEMBL442447 0.81 HRH4 (0.56) HRH4HRH3KMT2APOLBMAPK1
SCHEMBL406696 0.78 HRH4 (0.49) HRH4HRH3KMT2ATP53MAPT
SCHEMBL405252 0.77 HRH4 (0.46) HRH4HRH3KMT2APOLBTP53
SCHEMBL406642 0.77 HRH4 (0.57) HRH4HRH3KMT2APOLBMAPK1
SCHEMBL404286 0.76 HRH4 (0.68) HRH4HRH3
Hydrochloric Acid SCHEMBL440051 0.76 HRH4 (0.56) HRH4HRH3KMT2APOLBMAPK1

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-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
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (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 2/4885KMT2A 751/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885KMT2A 751/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885KMT2A 751/4885

“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.