SCHEMBL24966737

SCHEMBL24966737

C[C@H](c1ccccc1)n1nnc(F)c1C(=O)OC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.41
CHRM2 P08172 5/20 0.40
CHRM4 P08173 5/20 0.40
CHRM5 P08912 5/20 0.40
CHRM1 P11229 5/20 0.40
CHRM3 P20309 5/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 3/20 0.40
THRB P10828 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
MTOR P42345 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL24966834 0.95 CYP2D6 (0.40) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL24966741 0.89 BRD4 (0.46) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL24967437 0.88 CHRM2 (0.39) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL24966280 0.87 CHRM2 (0.41) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL23234324 0.87 BRD4 (0.41) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL24966764 0.87 BRD4 (0.41) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL24967438 0.86 CYP3A4 (0.35) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL24966776 0.82 CYP1A2 (0.51) LMNACYP1A2CYP2C9HSD17B10CYP3A4
SCHEMBL24966779 0.82 ALDH1A1 (0.42) BRD4LMNAMEN1KMT2ACYP2D6
SCHEMBL23234260 0.82 ALDH1A1 (0.42) BRD4LMNAMEN1KMT2ACYP2D6

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 BRD4 2260/4885CHRM2 1266/4885CHRM4 1610/4885

“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.