SCHEMBL3697153

SCHEMBL3697153

CCn1cc(-c2ccc(NC(=O)N3CCc4ccccc4C3)cc2)cn1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.72
RAB9A P51151 10/20 0.62
NPC1 O15118 9/20 0.62
ATM Q13315 1/20 0.62
ROCK2 O75116 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
TAS1R2 Q8TE23 1/20 0.60
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 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
SCHEMBL3703126 0.92 NAMPT (0.86) NAMPTRAB9ANPC1ATMROCK2
SCHEMBL3708039 0.89 NAMPT (0.68) NAMPTRAB9ANPC1ATMROCK2
SCHEMBL3700159 0.89 NAMPT (0.71) NAMPTRAB9ANPC1ATMROCK2
SCHEMBL3708229 0.89 NAMPT (0.86) NAMPTRAB9ANPC1ATMROCK2
SCHEMBL3707618 0.88 NAMPT (0.86) NAMPTRAB9ANPC1ATMROCK2
SCHEMBL3707378 0.87 NAMPT (0.87) NAMPTRAB9ANPC1ATMROCK2
SCHEMBL3699343 0.87 NAMPT (0.84) NAMPTRAB9ANPC1ATMROCK2
SCHEMBL3710980 0.84 NAMPT (1.00) NAMPT
SCHEMBL3710827 0.81 NAMPT (1.00) NAMPTROCK2
SCHEMBL3708603 0.80 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP claimed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP disclosed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122924-A1 NAMPT 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 (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-20120122924-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885RAB9A 2177/4885NPC1 88/4885

“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.