SCHEMBL3051605

SCHEMBL3051605

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(NC(C)C)nc3)cc2)ccc1C(=O)NCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.47
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR4 Q13639 1/20 0.41
ATR Q13535 2/20 0.41
CHRNA7 P36544 1/20 0.40
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
EPHX2 P34913 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3051338 0.94 NAMPT (0.48) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3058431 0.93 NAMPT (0.44) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3053090 0.93 NAMPT (0.47) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3055634 0.93 NAMPT (0.47) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3044903 0.90 NAMPT (0.47) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3053585 0.90 NAMPT (0.47) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3050002 0.90 NAMPT (0.47) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3054387 0.90 NAMPT (0.47) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3046413 0.89 NAMPT (0.46) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3047471 0.88 NAMPT (0.46) NAMPTADRA2AADRA2BKCNH2HTR4

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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US claimed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 NAMPT 2/4885ADRA2A 1494/4885ADRA2B 1363/4885

“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.