SCHEMBL3706499

SCHEMBL3706499

O=C(Nc1ccc(OC2CCNCC2)cc1)n1cc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
HRH1 P35367 2/20 0.49
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
NAMPT P43490 11/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL3696332 0.83 NAMPT (0.52) NAMPT
SCHEMBL3706793 0.81 NAMPT (0.67) NAMPT
SCHEMBL3706500 0.81 NAMPT (0.70) NAMPT
SCHEMBL3706432 0.78 NAMPT (0.54) NAMPT
SCHEMBL943416 0.76 KCNH2 (0.52) KCNH2HRH1KDM1ARCOR1NAMPT
SCHEMBL702786 0.74 TAS1R3 (0.58)
SCHEMBL3697172 0.74 POLB (0.50) KDM1ANAMPT
SCHEMBL23969997 0.74 KCNH2 (0.59) KCNH2HRH1KDM1ARCOR1
SCHEMBL6156469 0.73 EPHX1 (0.54) KCNH2HRH1FAAH
SCHEMBL8799332 0.73 KCNH2 (0.49) KCNH2HRH1KDM1ARCOR1

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 KCNH2 3738/4885HRH1 2391/4885KDM1A 1952/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 KCNH2 4559/4885HRH1 3376/4885KDM1A 3181/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 KCNH2 4559/4885HRH1 3376/4885KDM1A 3181/4885

“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.