SCHEMBL1141302

SCHEMBL1141302

Cc1ccc(-c2ccccc2C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)C2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.51
HCRTR1 O43613 6/20 0.48
CCR6 P51684 1/20 0.47
SYK P43405 8/20 0.47
POLB P06746 1/20 0.46
HCRTR2 O43614 3/20 0.45

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
SCHEMBL1141304 1.00 MAP3K12 (0.51) MAP3K12HCRTR1CCR6SYKPOLB
SCHEMBL1835677 0.86 KDM4E (0.52) MAP3K12HCRTR1SYKHCRTR2
SCHEMBL1141246 0.84 POLB (0.45) HCRTR1POLB
SCHEMBL1141245 0.84 POLB (0.45) HCRTR1POLB
SCHEMBL1141144 0.83 HCRTR1 (0.49) HCRTR1POLBHCRTR2
SCHEMBL1141147 0.83 HCRTR1 (0.49) HCRTR1POLBHCRTR2
SCHEMBL1141554 0.82 KMT2A (0.47) HCRTR1SYKPOLB
SCHEMBL1141551 0.82 KMT2A (0.47) HCRTR1SYKPOLB
SCHEMBL1141105 0.82 GFER (0.47) HCRTR1POLB
SCHEMBL20144856 0.82 HCRTR1 (0.66) MAP3K12HCRTR1HCRTR2

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
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP claimed
EP-2318367-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-05-11 EP claimed
US-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 US claimed
WO-2009133522-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-05 WO claimed
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
US-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 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-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS HCRTR1, HCRTR2, NPY1R MAP3K12 3893/4885HCRTR1 1/4885CCR6 2829/4885

“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.