SCHEMBL15528993

SCHEMBL15528993

O=C(Nc1ccc(C2CN(C(=O)C3CC3)C2)cc1)N1CC(c2cccnc2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.60
GRIN2B Q13224 1/20 0.56
CYP3A4 P08684 2/20 0.54
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL15529761 0.97 NAMPT (0.59) NAMPTGRIN2BCYP3A4NPC1TP53
SCHEMBL15529481 0.95 NAMPT (0.58) NAMPTGRIN2BCYP3A4NPC1TP53
SCHEMBL15529370 0.93 NPC1 (0.57) NAMPTGRIN2BCYP3A4NPC1TP53
SCHEMBL15529278 0.90 NAMPT (0.58) NAMPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL15529032 0.90 NPC1 (0.56) NAMPTGRIN2BCYP3A4NPC1TP53
SCHEMBL15529162 0.89 NAMPT (0.55) NAMPTGRIN2BCYP3A4NPC1TP53
SCHEMBL15529347 0.89 NAMPT (0.57) NAMPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL16228435 0.88 NAMPT (0.62) NAMPTGRIN2BCYP3A4
SCHEMBL15528779 0.88 NAMPT (0.64) NAMPT
SCHEMBL15529997 0.88 NAMPT (0.62) NAMPTGRIN2BCYP3A4NPC1TP53

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296723-B2 NAMPT inhibitors ABBVIE INC. (US) 2016-03-29 US claimed
EP-2852585-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-04-01 EP claimed
US-20140336168-A1 NAMPT INHIBITORS ABBVIE INC. 2014-11-13 US claimed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO claimed
US-9758511-B2 NAMPT inhibitors ABBVIE INC. (US) 2017-09-12 US disclosed
US-20160168134-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-16 US disclosed
US-9296723-B2 NAMPT inhibitors ABBVIE INC. (US) 2016-03-29 US disclosed
EP-2852585-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-04-01 EP disclosed
US-20140336168-A1 NAMPT INHIBITORS ABBVIE INC. 2014-11-13 US disclosed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO 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 (2 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-20160168134-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885GRIN2B 1070/4885CYP3A4 4662/4885
US-20140336168-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885GRIN2B 1070/4885CYP3A4 4662/4885

“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.