SCHEMBL3702799

SCHEMBL3702799

NC1CC=C(c2ccc(NC(=O)n3cc4ccccc4c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.44
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ERN1 O75460 1/20 0.37

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
SCHEMBL3702801 0.81 NAMPT (0.66) NAMPT
SCHEMBL3706873 0.76 NAMPT (0.67) NAMPTNPC1ALDH1A1ALOX15RAB9A
SCHEMBL3709539 0.72 MAPT (0.50) NAMPTNPC1ALDH1A1RAB9AMAPT
SCHEMBL3704224 0.71 NAMPT (0.69) NAMPT
SCHEMBL14336758 0.69 PLAU (0.41)
SCHEMBL703043 0.69 TAS1R3 (0.55) NAMPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL701869 0.69 TAS1R3 (0.55) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL3706029 0.69 MAOA (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL19359153 0.68 PARP10 (0.42) ALDH1A1SENP8SENP6
SCHEMBL3706793 0.68 NAMPT (0.67) NAMPT

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-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (3 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK NAMPT 1/4885NPC1 1017/4885ALDH1A1 2558/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885NPC1 453/4885ALDH1A1 2689/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885NPC1 453/4885ALDH1A1 2689/4885

“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.