SCHEMBL4319459

SCHEMBL4319459

Cc1ccc2[nH]c(C(=O)N3C[C@H]4CCCN[C@H]4C3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
AKR1C3 P42330 6/20 0.55
HRH4 Q9H3N8 4/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.52
HRH3 Q9Y5N1 1/20 0.51
PARP1 P09874 1/20 0.48
PIN1 Q13526 1/20 0.46
DRD3 P35462 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL4319461 1.00 NPC1 (0.59) NPC1RAB9AAKR1C3HRH4MEN1
SCHEMBL4319456 1.00 NPC1 (0.59) NPC1RAB9AAKR1C3HRH4MEN1
Hydrochloric Acid SCHEMBL4472537 0.99 NPC1 (0.58) NPC1RAB9AAKR1C3HRH4MEN1
Hydrochloric Acid SCHEMBL4472534 0.99 NPC1 (0.58) NPC1RAB9AAKR1C3HRH4MEN1
Hydrochloric Acid SCHEMBL4472544 0.99 NPC1 (0.58) NPC1RAB9AAKR1C3HRH4MEN1
SCHEMBL4476320 0.87 HRH4 (0.54) NPC1RAB9AHRH4MEN1KMT2A
SCHEMBL4318604 0.87 HRH4 (0.65) RAB9AHRH4MEN1KMT2APOLB
SCHEMBL4338442 0.87 HRH4 (0.54) NPC1RAB9AHRH4MEN1KMT2A
SCHEMBL4318603 0.87 HRH4 (0.65) RAB9AHRH4MEN1KMT2APOLB
SCHEMBL4322536 0.87 HRH4 (0.65) RAB9AHRH4MEN1KMT2APOLB

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
EP-2010172-B1 INDOLES AND BENZOIMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-08-29 EP claimed
US-7544698-B2 Indoles and benzoimidazoles as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-09 US claimed
EP-2010172-A2 INDOLES AND BENZOIMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-01-07 EP claimed
WO-2007117401-A2 INDOLES AND BENZOIMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO claimed
US-20070238771-A1 Indoles and benzoimidazoles as histamine H4 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-11 US claimed

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-20070238771-A1 Indoles and benzoimidazoles as histamine H4 receptor modulators HRH4, HRH3, HRH1 NPC1 3718/4885RAB9A 4006/4885AKR1C3 2119/4885

“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.