SCHEMBL25735163

SCHEMBL25735163

O=C(NCCCCCC1CCN(C(=O)c2ccccc2)C1)Nc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 13/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CDK2 P24941 1/20 0.57
▸ FLT4 P35916 1/20 0.57
▸ KEAP1 Q14145 3/20 0.50
▸ NFE2L2 Q16236 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ EPHX2 P34913 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
SCHEMBL25735195 1.00 NAMPT (0.59) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL19834831 0.93 NAMPT (0.67) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL25735147 0.90 NAMPT (0.56) NAMPTCYP3A4CYP2C9KEAP1NFE2L2
SCHEMBL25735223 0.90 NAMPT (0.56) NAMPTCYP3A4CYP2C9KEAP1NFE2L2
SCHEMBL25735181 0.90 NAMPT (0.56) NAMPTCYP3A4CYP2C9KEAP1NFE2L2
SCHEMBL25735186 0.90 NAMPT (0.56) NAMPTCYP3A4CYP2C9KEAP1NFE2L2
SCHEMBL25735182 0.90 NAMPT (0.56) NAMPTCYP3A4CYP2C9KEAP1NFE2L2
SCHEMBL25735197 0.86 CDK2 (0.54) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL25223204 0.86 NAMPT (0.53) NAMPTCYP3A4CYP2C9CDK2FLT4
SCHEMBL25228399 0.86 NAMPT (0.53) NAMPTCYP3A4CYP2C9CDK2FLT4

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-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — US disclosed
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — 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-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT NAMPT 1/4885CYP3A4 3664/4885CYP2C9 3869/4885

“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.

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