SCHEMBL3706873

SCHEMBL3706873

O=C(Nc1ccc(C2=CCNCC2)cc1)n1cc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.67
SIGMAR1 Q99720 2/20 0.48
HTR6 P50406 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
HTR2C P28335 5/20 0.47
QDPR P09417 2/20 0.46
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
ALOX15 P16050 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
FTO Q9C0B1 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL3701328 0.84 WNT3A (0.49) NAMPTSIGMAR1HTR6HTR2CQDPR
SCHEMBL3701244 0.84 NAMPT (0.48) NAMPTHTR6
SCHEMBL3699584 0.80 NAMPT (1.00) NAMPT
SCHEMBL3693217 0.76 NAMPT (0.87) NAMPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3702799 0.76 NAMPT (0.44) NAMPTALDH1A1NPC1ALOX15RAB9A
SCHEMBL24670573 0.74 MAPKAPK2 (0.59) NAMPTSIGMAR1MAPKAPK2HTR2CQDPR
SCHEMBL3697172 0.73 POLB (0.50) NAMPTSIGMAR1HTR6MAPKAPK2ALDH1A1
Hydrochloric Acid SCHEMBL31488880 0.72 NAMPT (0.69) NAMPTHTR6MAPKAPK2HTR2CQDPR
Hydrochloric Acid SCHEMBL31488840 0.72 NAMPT (0.69) NAMPTSIGMAR1HTR6MAPKAPK2HTR2C
SCHEMBL3706793 0.72 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 1/4885SIGMAR1 4278/4885HTR6 2186/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885SIGMAR1 4136/4885HTR6 1667/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885SIGMAR1 4136/4885HTR6 1667/4885

“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.