SCHEMBL3555423

SCHEMBL3555423

CCN(C1CCN(CCNC(=O)Nc2cc(C)nc(CCc3ccccc3)c2)CC1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.43
HTR2A P28223 2/20 0.42
CCR3 P51677 1/20 0.42
BMP1 P13497 1/20 0.42
NAMPT P43490 2/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
FPR2 P25090 1/20 0.40
CCR5 P51681 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3564063 0.92 NAMPT (0.42) NAMPTPOLBHSD17B10RXFP1KMT2A
SCHEMBL3556764 0.91 RXFP1 (0.44) HTR2ACCR3NAMPTPOLBHSD17B10
SCHEMBL3560963 0.90 NAMPT (0.46) HTR2ACCR3NAMPTPOLBHSD17B10
SCHEMBL3558596 0.86 RXFP1 (0.47) HTR2ACCR3NAMPTPOLBHSD17B10
SCHEMBL3564132 0.85 RXFP1 (0.42) NAMPTPOLBHSD17B10RXFP1KMT2A
SCHEMBL3564763 0.85 NAMPT (0.47) HTR2ACCR3NAMPTPOLBKMT2A
SCHEMBL3556782 0.84 RXFP1 (0.43) NAMPTPOLBHSD17B10RXFP1KMT2A
SCHEMBL3564450 0.84 HTR2A (0.43) HTR2ACCR3NAMPTRXFP1KMT2A
SCHEMBL3561511 0.83 HTR2A (0.46) HTR2ACCR3NAMPTPOLBHSD17B10
SCHEMBL4855479 0.83 UTS2R (0.54) HTR2ANAMPTPOLBHSD17B10KMT2A

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 OPRM1 160/4885HTR2A 119/4885CCR3 2602/4885

“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.