SCHEMBL3706789

SCHEMBL3706789

O=C(Nc1ccc(C2CCNCC2)cc1)N1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 1.00
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
TAS1R2 Q8TE23 2/20 0.59

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
SCHEMBL31489090 0.86 NAMPT (0.74) NAMPTCYP3A4CYP2C9
SCHEMBL3709734 0.85 NAMPT (0.74) NAMPT
Hydrochloric Acid SCHEMBL31489052 0.85 NAMPT (0.73) NAMPT
Hydrochloric Acid SCHEMBL31489118 0.85 NAMPT (0.73) NAMPTCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL31489029 0.84 NAMPT (0.72) NAMPT
Hydrochloric Acid SCHEMBL31489071 0.84 NAMPT (0.72) NAMPT
Hydrochloric Acid SCHEMBL31489265 0.83 NAMPT (0.70) NAMPTCYP3A4CYP2C9TAS1R3TAS1R1
SCHEMBL3706500 0.82 NAMPT (0.70) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL31488795 0.81 NAMPT (0.67) NAMPT
SCHEMBL22489624 0.80 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 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 1/4885CYP3A4 4172/4885CYP2C9 4273/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885CYP3A4 4721/4885CYP2C9 4728/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885CYP3A4 4721/4885CYP2C9 4728/4885

“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.