SCHEMBL24966834

SCHEMBL24966834

C[C@H](c1ccccc1)n1nnc(F)c1C(=O)OC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
BRD4 O60885 6/20 0.38
CHRM2 P08172 5/20 0.38
CHRM4 P08173 5/20 0.38
CHRM5 P08912 5/20 0.38
CHRM1 P11229 5/20 0.38
CHRM3 P20309 5/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
MTOR P42345 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR3E A5X5Y0 1/20 0.36

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
SCHEMBL24966737 0.95 BRD4 (0.41) CYP2D6HTTCYP1A2CYP3A4BRD4
SCHEMBL24966097 0.87 CYP2D6 (0.40) CYP2D6HTTCYP1A2CYP3A4BRD4
SCHEMBL24966932 0.87 CHRM2 (0.40) CYP2D6HTTCYP1A2CYP3A4BRD4
SCHEMBL24966741 0.86 BRD4 (0.46) CYP2D6BRD4CHRM2CHRM4CHRM5
SCHEMBL24967437 0.85 CHRM2 (0.39) CYP2D6BRD4CHRM2CHRM4CHRM5
SCHEMBL24966270 0.83 CYP2D6 (0.42) CYP2D6HTTCYP1A2CYP3A4BRD4
SCHEMBL23234324 0.82 BRD4 (0.41) CYP2D6HTTCYP1A2BRD4CHRM2
SCHEMBL24966764 0.82 BRD4 (0.41) CYP2D6HTTCYP1A2CYP3A4BRD4
SCHEMBL24966280 0.82 CHRM2 (0.41) CYP2D6HTTCYP1A2CYP3A4BRD4
SCHEMBL22696689 0.81 MAPK1 (0.40) CYP2D6HTTCYP1A2CYP3A4BRD4

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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2023-01-26 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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CYP21A2, CYP11B1, CYP11B2 CYP2D6 14/4885HTT 3233/4885CYP1A2 42/4885

“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.