SCHEMBL25424023

SCHEMBL25424023

C[C@@H]1Cc2c(ncc(C#N)c2Cl)N1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.56
▸ CSNK1A1 P48729 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL25426347 1.00 NNMT (0.56) NNMTCSNK1A1CLK4HTR2AHTR2C
SCHEMBL25789870 0.83 NNMT (0.55) NNMT
SCHEMBL25426494 0.81 NNMT (0.47) NNMTCSNK1A1CLK4
SCHEMBL25425830 0.78 NNMT (0.58) NNMT
SCHEMBL25425826 0.78 NNMT (0.58) NNMT
SCHEMBL25795840 0.74 NNMT (0.38) NNMT
SCHEMBL25425377 0.72 NNMT (1.00) NNMT
SCHEMBL13745465 0.71 HTR2A (0.41) NNMTHTR2AHTR2CHTR2B
SCHEMBL25425626 0.67 NNMT (0.47) NNMTHTR2AHTR2CHTR2B
SCHEMBL25425630 0.67 NNMT (0.47) NNMTHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368638-A1 BICYCLIC INHIBITORS OF NICOTINAMIDE NMETHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF HARVARD COLLEGE (US) 2025-12-04 — — US disclosed
US-20250340549-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, AND COMPOSITIONS AND USES THEREOF HARVARD COLLEGE (US) 2025-11-06 — — US disclosed
CN-119110724-A Bicyclic inhibitors of nicotinamide N-methyltransferase, compositions and uses thereof 哈佛大学校长及研究员协会 2024-12-10 — — CN disclosed
EP-4456892-A1 BICYCLIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF President and Fellows of Harvard College (US) 2024-11-06 — — EP disclosed
WO-2023129512-A1 BICYCLIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-07-06 — — WO disclosed
WO-2023129513-A2 BICYCLIC HETEROAROMATIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, AND COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-07-06 — — WO disclosed
WO-2023129512-A1 BICYCLIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-07-06 — — 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 (2 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-20250340549-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, AND COMPOSITIONS AND USES THEREOF NNMT, NAMPT, NNT NNMT 1/4885CSNK1A1 2106/4885CLK4 3256/4885
US-20250368638-A1 BICYCLIC INHIBITORS OF NICOTINAMIDE NMETHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF NNMT, NAMPT, NNT NNMT 1/4885CSNK1A1 2426/4885CLK4 4283/4885

“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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