SCHEMBL3260720

SCHEMBL3260720

Nc1nc2c(c(N3CCC(NC(=O)O)C3)n1)CCC(c1ccccc1Cl)C2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.54
HRH3 Q9Y5N1 1/20 0.54
HCAR2 Q8TDS4 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
AKT1 P31749 2/20 0.36
ACKR3 P25106 4/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
TRPV1 Q8NER1 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
SCHEMBL3235125 0.88 HRH4 (0.68) HRH4HRH3OPRM1OPRK1OGFRL1
SCHEMBL3260916 0.84 HRH4 (0.56) HRH4HRH3
SCHEMBL603730 0.83 HRH4 (0.48) HRH4HRH3
SCHEMBL3233923 0.81 HRH4 (0.61) HRH4HRH3HCAR2
SCHEMBL3237073 0.81 HRH4 (0.60) HRH4HRH3HCAR2OPRM1OPRK1
SCHEMBL3758724 0.78 HRH4 (0.42) HRH4HRH3HCAR2
SCHEMBL3758725 0.78 HRH4 (0.42) HRH4HRH3HCAR2
SCHEMBL604871 0.78 HRH4 (0.47) HRH4HRH3
SCHEMBL3753365 0.76 HRH4 (0.70) HRH4HRH3OPRM1OPRK1OGFRL1
SCHEMBL3758830 0.75 HRH4 (0.69) HRH4HRH3OPRM1OPRK1OGFRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 US claimed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP claimed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO claimed
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 US disclosed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP disclosed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 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 (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-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 HRH4 1/4885HRH3 3/4885HCAR2 5/4885

“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.