SCHEMBL16228271

SCHEMBL16228271

CC(C)(C)CCN1CCC(c2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.55
CCR5 P51681 1/20 0.48
CYP3A4 P08684 3/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GRIN2B Q13224 1/20 0.46
MAPT P10636 1/20 0.46
STAT1 P42224 1/20 0.46
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL15529882 0.93 NAMPT (0.57) NAMPTCCR5CYP3A4NPC1RAB9A
SCHEMBL15528872 0.91 NAMPT (0.55) NAMPTCCR5CYP3A4NPC1RAB9A
SCHEMBL16228876 0.90 NAMPT (0.55) NAMPTCCR5CYP3A4NPC1RAB9A
SCHEMBL15529591 0.90 NAMPT (0.55) NAMPTCCR5CYP3A4NPC1RAB9A
SCHEMBL15529646 0.88 NAMPT (0.54) NAMPTCCR5CYP3A4NPC1RAB9A
SCHEMBL15529411 0.88 NAMPT (0.58) NAMPTCCR5CYP3A4NPC1RAB9A
SCHEMBL15529331 0.86 NAMPT (0.52) NAMPTCCR5CYP3A4NPC1RAB9A
SCHEMBL15529793 0.86 NAMPT (0.57) NAMPTCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL28845684 0.86 NAMPT (0.55) NAMPTCCR5CYP3A4NPC1RAB9A
SCHEMBL15529340 0.85 NAMPT (0.59) NAMPTCCR5CYP3A4NPC1RAB9A

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-9296723-B2 NAMPT inhibitors ABBVIE INC. (US) 2016-03-29 US claimed
US-20140336168-A1 NAMPT INHIBITORS ABBVIE INC. 2014-11-13 US 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
US-20140336168-A1 NAMPT INHIBITORS ABBVIE INC. 2014-11-13 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 (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 1/4885CCR5 4275/4885CYP3A4 4662/4885
US-20140336168-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885CCR5 4275/4885CYP3A4 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.