SCHEMBL24011100

SCHEMBL24011100

COc1ccc(CNC(=O)NCCCCC2CCN(C(=O)c3ccccc3C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CASR P41180 1/20 0.45
▸ CHRM2 P08172 4/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ CCR5 P51681 2/20 0.44
▸ NAMPT P43490 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CHRM4 P08173 1/20 0.43

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
SCHEMBL26765093 0.91 CYP2C9 (0.60) CYP2C9CYP2C19MAPK14HTR2BCHRM2
SCHEMBL24011155 0.89 CYP2C9 (0.51) CYP2C9CYP2C19MAPK14HTR2BCHRM2
SCHEMBL24011184 0.88 NAMPT (0.57) CYP2C9CASRKEAP1NFE2L2NAMPT
SCHEMBL24011099 0.87 CYP2C9 (0.49) CYP2C9CYP2C19MAPK14HTR2BCHRM2
SCHEMBL24011095 0.87 NAMPT (0.51) CYP2C9CYP2C19MAPK14HTR2BSMN1; SMN2
SCHEMBL24011217 0.83 NPC1 (0.60) CYP2C9CYP2C19MAPK14HTR2BSMN1; SMN2
SCHEMBL26765090 0.81 NAMPT (0.50) CYP2C9CYP2C19MAPK14HTR2BKEAP1
SCHEMBL24011315 0.79 NAMPT (0.47) CYP2C9CYP2C19MAPK14HTR2BCHRM2
SCHEMBL24011238 0.79 ALDH1A1 (0.57) CYP2C9CYP2C19MAPK14HTR2BCHRM2
SCHEMBL24011317 0.79 CCR5 (0.54) CHRM2KEAP1NFE2L2CCR5NAMPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
CN-115843295-A NAMPT modulators 赛特凯恩蒂克公司 2023-03-24 — — CN disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 — — 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT CYP2C9 1551/4885CYP2C19 1361/4885MAPK14 1323/4885

“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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