SCHEMBL26373642

SCHEMBL26373642

CN1Cc2[nH]nc(P)c2CC1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL17232733 0.81 CYP2C19 (0.33) CYP2C19
SCHEMBL24045549 0.77 HSD17B10 (0.39) CYP2C19
SCHEMBL17229749 0.77 CYP2C19 (0.33) CYP2C19
SCHEMBL16127913 0.70 CYP2C19 (0.33) CYP2C19
SCHEMBL21334031 0.69 CYP2C19 (0.32) CYP2C19
SCHEMBL17234780 0.67 HSD17B10 (0.39) CYP2C19
SCHEMBL17229819 0.67 CYP2C19 (0.37) CYP2C19
SCHEMBL12719797 0.59 KDM4E (0.55) CYP2C19
SCHEMBL791613 0.58 — —
SCHEMBL20517731 0.57 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 — — 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-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CYP2C19 427/4885

“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.

Send feedback