SCHEMBL1141607

SCHEMBL1141607

CSc1cnc(NC2CCCN(C(=O)c3ccccc3-c3ccc(C)c(C)c3)C2)nc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.49
HCRTR2 O43614 2/20 0.49
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
GFER P55789 2/20 0.45
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 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
SCHEMBL1141606 1.00 HCRTR1 (0.49) HCRTR1HCRTR2KMT2APOLBGFER
SCHEMBL269121 0.90 POLB (0.48) HCRTR1KMT2APOLBGFERALOX5AP
SCHEMBL269120 0.90 POLB (0.48) HCRTR1KMT2APOLBGFERALOX5AP
SCHEMBL1838881 0.86 KMT2A (0.45) HCRTR1KMT2APOLBGFER
SCHEMBL1141278 0.84 CCNK (0.44) HCRTR1HCRTR2KMT2AALOX5APFEN1
SCHEMBL1141276 0.84 CCNK (0.44) HCRTR1HCRTR2KMT2AALOX5APFEN1
SCHEMBL1838142 0.83 CCNK (0.47)
SCHEMBL1141649 0.82 GFER (0.49) HCRTR1HCRTR2KMT2APOLBGFER
SCHEMBL1141644 0.82 GFER (0.49) HCRTR1HCRTR2KMT2APOLBGFER
SCHEMBL1838876 0.81 EGFR (0.44) HCRTR1KMT2APOLBGFER

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 4 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
US-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 US 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 HCRTR1 1/4885HCRTR2 2/4885KMT2A 1699/4885

“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.