SCHEMBL3556782

SCHEMBL3556782

CCCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 3/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NAMPT P43490 1/20 0.41
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
AVPR1B P47901 3/20 0.39
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3564132 0.95 RXFP1 (0.42) RXFP1POLBHSD17B10LMNASMN1; SMN2
SCHEMBL3560963 0.94 NAMPT (0.46) RXFP1POLBHSD17B10LMNASMN1; SMN2
SCHEMBL3564522 0.90 CCR3 (0.45) LMNANAMPTCACNA1BCACNA1CCA12
SCHEMBL3564063 0.89 NAMPT (0.42) RXFP1POLBHSD17B10LMNASMN1; SMN2
SCHEMBL3556764 0.89 RXFP1 (0.44) RXFP1POLBHSD17B10LMNASMN1; SMN2
SCHEMBL3562435 0.88 L3MBTL1 (0.53) RXFP1POLBHSD17B10LMNASMN1; SMN2
SCHEMBL3556125 0.88 POLB (0.45) RXFP1POLBHSD17B10LMNASMN1; SMN2
SCHEMBL3561750 0.86 NAMPT (0.49) SMN1; SMN2NAMPTMAPK1MEN1KMT2A
SCHEMBL3561511 0.85 HTR2A (0.46) RXFP1POLBHSD17B10LMNANAMPT
SCHEMBL3568083 0.85 NAMPT (0.44) RXFP1NAMPTAVPR1BKMT2ATP53

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
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 RXFP1 232/4885POLB 4709/4885HSD17B10 3481/4885

“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.