SCHEMBL3568083

SCHEMBL3568083

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.44
AVPR1B P47901 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
UTS2R Q9UKP6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA7 P43166 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3552542 0.91 CA2 (0.39) NAMPTCA1CA2TP53UTS2R
SCHEMBL3559557 0.91 L3MBTL1 (0.43) NAMPTALDH1A1
SCHEMBL3560963 0.91 NAMPT (0.46) NAMPTAVPR1BTP53MAPTKDM4E
SCHEMBL3561750 0.89 NAMPT (0.49) NAMPTCA1CA2TP53KDM4E
SCHEMBL3564148 0.88 NAMPT (0.49) NAMPTCA1CA2TP53MAPT
SCHEMBL3557281 0.88 NAMPT (0.47) NAMPTCA1CA2KDM4EALDH1A1
SCHEMBL3565680 0.88 CNR1 (0.48) NAMPTCA1CA2TP53MAPT
SCHEMBL3564763 0.87 NAMPT (0.47) NAMPTCA1CA2TP53MAPT
SCHEMBL3562290 0.86 CA1 (0.49) NAMPTCA1CA2MAPTCA7
SCHEMBL3556764 0.86 RXFP1 (0.44) NAMPTAVPR1BTP53MAPTRXFP1

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 NAMPT 245/4885AVPR1B 65/4885CA1 3602/4885

“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.