SCHEMBL3707121

SCHEMBL3707121

O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1)N1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 1.00
HTT P42858 1/20 0.69
TSHR P16473 1/20 0.65
GAA P10253 1/20 0.62

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
SCHEMBL3705158 0.89 NAMPT (1.00) NAMPT
SCHEMBL3704050 0.86 NAMPT (1.00) NAMPTHTT
SCHEMBL3703827 0.85 NAMPT (1.00) NAMPT
SCHEMBL13803782 0.82 CYP1A2 (0.83) NAMPTHTTTSHRGAA
SCHEMBL3709164 0.82 NAMPT (1.00) NAMPT
SCHEMBL3709249 0.82 NAMPT (0.78) NAMPT
SCHEMBL3710134 0.80 NAMPT (0.91) NAMPT
SCHEMBL3710393 0.79 NAMPT (0.78) NAMPT
SCHEMBL3704448 0.79 NAMPT (1.00) NAMPTGAA
SCHEMBL3711040 0.78 NAMPT (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US claimed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP claimed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
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 1/4885HTT 1893/4885TSHR 3368/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885HTT 2410/4885TSHR 2661/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885HTT 2410/4885TSHR 2661/4885

“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.