SCHEMBL3055073

SCHEMBL3055073

CCNc1nc(-c2ccc(NC(=O)NCc3cccnc3)cc2)ccc1C(=O)NCCCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.57
NAMPT P43490 6/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
KCNH2 Q12809 1/20 0.48
HTR4 Q13639 1/20 0.48
HTR3A P46098 2/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL3052000 0.98 CHRNA7 (0.53) CHRNA7NAMPTADRA2AADRA2BKCNH2
SCHEMBL3051516 0.95 NAMPT (0.51) CHRNA7NAMPTPOLB
SCHEMBL3058510 0.94 NAMPT (0.51) CHRNA7NAMPTPOLB
SCHEMBL3048788 0.89 NAMPT (0.48) NAMPTPOLB
SCHEMBL3048680 0.88 NAMPT (0.50) NAMPTPOLB
SCHEMBL3058645 0.87 NAMPT (0.51) NAMPTPOLB
SCHEMBL3057603 0.87 POLB (0.45) NAMPTPOLB
SCHEMBL3048259 0.87 NAMPT (0.51) CHRNA7NAMPTPOLB
SCHEMBL3061226 0.86 POLB (0.49) NAMPTPOLB
SCHEMBL3052781 0.86 NAMPT (0.46) NAMPTPOLB

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 4 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
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO 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 CHRNA7 784/4885NAMPT 2/4885ADRA2A 1494/4885

“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.