SCHEMBL3611274

SCHEMBL3611274

O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc2c(c1)CCNC2

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.56
SCD O00767 19/20 0.56
SCD5 Q86SK9 16/20 0.56

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
SCHEMBL3608431 0.91 NAMPT (0.56) NAMPTSCDSCD5
SCHEMBL13504884 0.91 NAMPT (0.60) NAMPTSCDSCD5
SCHEMBL3608690 0.90 TAS2R8 (0.52) NAMPTSCDSCD5
SCHEMBL3611305 0.90 NAMPT (0.63) NAMPTSCDSCD5
Hydrochloric Acid SCHEMBL3612494 0.90 NAMPT (0.59) NAMPTSCDSCD5
SCHEMBL3608825 0.90 SCD5 (0.53) NAMPTSCDSCD5
SCHEMBL13504905 0.89 ITK (0.59) NAMPTSCD
SCHEMBL3606705 0.88 ALDH1A1 (0.53) NAMPT
Hydrochloric Acid SCHEMBL3600325 0.88 ITK (0.58) NAMPTSCD
SCHEMBL3602522 0.86 SMN1; SMN2 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US claimed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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 (1 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 NAMPT 869/4885SCD 2/4885SCD5 4/4885

“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.