SCHEMBL3292500

SCHEMBL3292500

CCc1nc2cc(F)ccc2n1C1CCNCC1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.74
HDAC1 Q13547 3/20 0.48
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
FPR2 P25090 1/20 0.45
CPT1A P50416 1/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
PDE10A Q9Y233 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 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
Hydrochloric Acid SCHEMBL31587305 0.99 CCR3 (0.72) CCR3HDAC1PIK3CDPIK3CBFPR2
SCHEMBL13351459 0.87 CCR3 (0.74) CCR3HDAC1PIK3CDPIK3CBCPT1A
SCHEMBL13351509 0.87 CCR3 (0.74) CCR3HDAC1PIK3CDPIK3CBCPT1A
SCHEMBL5393280 0.85 CCR3 (1.00) CCR3HDAC1PIK3CDPIK3CBCPT1A
SCHEMBL13351530 0.85 CCR3 (0.71) CCR3HDAC1PIK3CDPIK3CBCPT1A
Hydrochloric Acid SCHEMBL31587373 0.82 CCR3 (0.62) CCR3CYP11B1CYP11B2HTTSMN1; SMN2
SCHEMBL13319170 0.81 CCR3 (0.60) CCR3HDAC1CPT1ACYP11B1CYP11B2
SCHEMBL3291520 0.81 TP53 (0.49) CCR3HDAC1FPR2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3289617 0.80 TP53 (0.48) CCR3HDAC1FPR2KDM4EALDH1A1
SCHEMBL23946257 0.80 CYP11B2 (0.58) CCR3CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723360-B2 Alkyl-and piperidine-substituted benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-25 US disclosed
US-7723360-B2 Alkyl-and piperidine-substituted benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-25 US disclosed
US-7723360-B2 Alkyl-and piperidine-substituted benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-25 US disclosed
EP-1776356-B1 ALKYL-AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATES BOEHRINGER INGELHEIM INT (DE) 2008-09-17 EP disclosed
EP-1776356-B1 ALKYL-AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATES BOEHRINGER INGELHEIM INT (DE) 2008-09-17 EP disclosed
EP-1776356-A1 ALKYL-AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-25 EP disclosed
WO-2006013073-A1 ALKYL-AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-09 WO disclosed
US-20060030590-A1 Alkyl-and piperidine-substituted benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-09 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-20060030590-A1 Alkyl-and piperidine-substituted benzimidazole derivatives ABCB11, KCNJ11, ABCB1 CCR3 2279/4885HDAC1 229/4885PIK3CD 1565/4885

“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.