SCHEMBL14938281

SCHEMBL14938281

Cc1c(F)nc(N2CCNCC2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ITGA2B P08514 1/20 0.41
HRH4 Q9H3N8 2/20 0.38
HRH1 P35367 1/20 0.37
PRKCI P41743 2/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6747109 0.86 PDE10A (0.45) PDE10AALDH1A1LMNAITGA2BHRH4
SCHEMBL603396 0.72 HRH4 (0.52) ITGA2BHRH4
SCHEMBL3923985 0.71 ALDH1A1 (0.72) ALDH1A1LMNAHRH1
SCHEMBL28793820 0.68 HTR2C (0.41) PDE10AALDH1A1LMNAITGA2BHRH4
SCHEMBL23964294 0.67 HTR2C (0.50) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5115656 0.66 ALDH1A1 (0.69) ALDH1A1LMNAHRH4HRH1USP2
Hydrochloric Acid SCHEMBL23932474 0.66 HTR2C (0.49) ALDH1A1LMNA
SCHEMBL4754294 0.66 LMNA (0.47) ALDH1A1LMNA
SCHEMBL14938031 0.64 ADRB1 (0.46) ALDH1A1LMNA
SCHEMBL1773673 0.64 HRH4 (0.55) PDE10AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 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-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 PDE10A 1829/4885ALDH1A1 1133/4885LMNA 4590/4885

“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.