SCHEMBL15530675

SCHEMBL15530675

CC(C)(C)OC(=O)N1CCC(c2ccc(NC(=O)N3CC(c4cccnc4F)C3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.63
JAK2 O60674 5/20 0.51
JAK3 P52333 5/20 0.51
PTK2 Q05397 5/20 0.51
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
TRPV1 Q8NER1 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
SCHEMBL16228882 0.89 NAMPT (0.63) NAMPTJAK2JAK3PTK2MAPT
SCHEMBL16228904 0.87 NAMPT (0.62) NAMPTMAPTNPC1RAB9ACYP3A4
SCHEMBL15529677 0.86 NPC1 (0.52) NAMPTMAPTNPC1RAB9ACYP3A4
SCHEMBL15529465 0.84 NAMPT (0.65) NAMPTJAK2JAK3PTK2MAPT
SCHEMBL2457409 0.84 GPR119 (0.51) GPR119
SCHEMBL20835999 0.83 GPR119 (0.56) MAPTGPR119
SCHEMBL15529056 0.83 NAMPT (0.66) NAMPTJAK2JAK3PTK2NPC1
SCHEMBL2596096 0.81 POLB (0.47) NAMPTGPR119
SCHEMBL31489021 0.81 NAMPT (0.78) NAMPTCYP3A4CYP2C9
Acetic Acid SCHEMBL29148501 0.81 GPR119 (0.53) MAPTGPR119

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 8 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
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 1/4885JAK2 4255/4885JAK3 4621/4885
US-20140336168-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885JAK2 4255/4885JAK3 4621/4885

“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.