SCHEMBL15528752

SCHEMBL15528752

O=C(Nc1ccc(CC2CCN(C(=O)c3ccccc3F)CC2)cc1)N1CC(c2cccnn2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.56
CYP2C19 P33261 4/20 0.56
MAPK14 Q16539 4/20 0.56
FAAH O00519 2/20 0.48
CHRM2 P08172 4/20 0.46
NAMPT P43490 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MLNR O43193 1/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 2/20 0.42
HTR2B P41595 3/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL15529298 0.88 NAMPT (0.49) NAMPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL15529296 0.88 FAAH (0.53) FAAHNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL15529360 0.86 FAAH (0.53) FAAHSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL15529371 0.83 FAAH (0.48) FAAHNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL15529367 0.82 FAAH (0.49) FAAHNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL15529459 0.82 FAAH (0.49) FAAHNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL15528911 0.81 FAAH (0.45) FAAHNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL15529226 0.81 FAAH (0.48) FAAHNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL15529071 0.81 FAAH (0.48) CYP2C9FAAHNAMPTSMN1; SMN2MEN1
SCHEMBL15529152 0.81 FAAH (0.45) FAAHNAMPTSMN1; SMN2MEN1KMT2A

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 CYP2C9 4631/4885CYP2C19 4634/4885MAPK14 3668/4885
US-20140336168-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT CYP2C9 4631/4885CYP2C19 4634/4885MAPK14 3668/4885

“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.