SCHEMBL3706793

SCHEMBL3706793

O=C(Nc1ccc(C2CCNCC2)cc1)n1cc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.67
JAK3 P52333 2/20 0.53

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
SCHEMBL3706499 0.81 KCNH2 (0.50) NAMPT
SCHEMBL3706789 0.80 NAMPT (1.00) NAMPT
SCHEMBL3697172 0.77 POLB (0.50) NAMPT
SCHEMBL3696332 0.74 NAMPT (0.52) NAMPTJAK3
SCHEMBL31037442 0.74 NAMPT (0.59) NAMPTJAK3
SCHEMBL10127506 0.74 NAMPT (0.59) NAMPTJAK3
SCHEMBL22489624 0.73 NAMPT (0.67) NAMPT
SCHEMBL18553776 0.72 P2RY14 (0.66) NAMPTJAK3
SCHEMBL3709539 0.72 MAPT (0.50) NAMPT
SCHEMBL701869 0.72 TAS1R3 (0.55)

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 1/4885JAK3 3082/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885JAK3 3726/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885JAK3 3726/4885

“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.