SCHEMBL3556764

SCHEMBL3556764

CCc1cc(NC(=O)NCCN2CCC(N(CC)S(=O)(=O)c3ccc(OC)cc3)CC2)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
NAMPT P43490 2/20 0.43
POLB P06746 3/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AVPR1B P47901 4/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HTR2A P28223 1/20 0.38
CCR3 P51677 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL3558596 0.95 RXFP1 (0.47) RXFP1NAMPTPOLBHSD17B10LMNA
SCHEMBL3564132 0.95 RXFP1 (0.42) RXFP1NAMPTPOLBHSD17B10LMNA
SCHEMBL3560963 0.94 NAMPT (0.46) RXFP1NAMPTPOLBHSD17B10LMNA
SCHEMBL3564063 0.94 NAMPT (0.42) RXFP1NAMPTPOLBHSD17B10LMNA
SCHEMBL3564450 0.92 HTR2A (0.43) RXFP1NAMPTLMNAAVPR1BMEN1
SCHEMBL3560352 0.91 SMN1; SMN2 (0.43) NAMPTSMN1; SMN2AVPR1BMAPK1TP53
SCHEMBL3555423 0.91 OPRM1 (0.43) RXFP1NAMPTPOLBHSD17B10LMNA
SCHEMBL3560035 0.91 NAMPT (0.44) NAMPTLMNAMEN1KMT2AHTR2A
SCHEMBL3561205 0.91 NAMPT (0.44) NAMPTPOLBLMNASMN1; SMN2MEN1
SCHEMBL3556782 0.89 RXFP1 (0.43) RXFP1NAMPTPOLBHSD17B10LMNA

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
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
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 RXFP1 232/4885NAMPT 245/4885POLB 4709/4885

“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.