SCHEMBL3556788

SCHEMBL3556788

CCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
CCR3 P51677 3/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
RORC P51449 1/20 0.40
CCR5 P51681 1/20 0.39
TP53 P04637 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CA7 P43166 2/20 0.38
CNR1 P21554 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
SCHEMBL3557281 0.91 NAMPT (0.47) NAMPTCCR3CA1CA2CA7
SCHEMBL3568175 0.91 L3MBTL1 (0.43) NAMPTCCR3CA1CA2TP53
SCHEMBL3564906 0.91 CCR3 (0.41) NAMPTCCR3CA1CA2TP53
SCHEMBL3565680 0.90 CNR1 (0.48) NAMPTCA1CA2TP53CNR1
SCHEMBL3561750 0.90 NAMPT (0.49) NAMPTCA1CA2TP53CA7
SCHEMBL3561109 0.89 CCR3 (0.44) NAMPTCCR3CA1CA2RORC
SCHEMBL3562290 0.88 CA1 (0.49) NAMPTCCR3CA1CA2CA7
SCHEMBL3557217 0.88 NAMPT (0.44) NAMPTCA1CA2RORCTP53
SCHEMBL3564148 0.88 NAMPT (0.49) NAMPTCCR3CA1CA2TP53
SCHEMBL3564763 0.88 NAMPT (0.47) NAMPTCCR3CA1CA2CCR5

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 245/4885CCR3 2602/4885CA1 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.