SCHEMBL25793979

SCHEMBL25793979

CCN1CCC(F)(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.54
OPRD1 P41143 3/20 0.54
OPRK1 P41145 3/20 0.54
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
KCNA3 P22001 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD11B1 P28845 1/20 0.46

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
SCHEMBL25557239 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL1290759 0.84 CYP3A4 (0.65) OPRM1OPRD1OPRK1LMNACYP3A4
SCHEMBL6272646 0.83 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25879050 0.81 OPRM1 (0.45) OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL31297843 0.81 DDB1 (0.51) ALDH1A1
SCHEMBL3724596 0.80 OPRM1 (0.50) OPRM1OPRD1OPRK1CHRM2CHRM4
SCHEMBL16549502 0.79 OPRM1 (0.53) OPRM1OPRD1OPRK1KCNA3CYP3A4
SCHEMBL24969422 0.78 ALDH1A1 (0.46) ALDH1A1
SCHEMBL1971471 0.77 KMT2A (0.51) LMNACYP2C19ALDH1A1
SCHEMBL25523481 0.77 ALDH1A1 (0.49) ALDH1A1

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-20230212172-A1 ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES SAINT LOUIS UNIVERSITY 2023-07-06 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-20230212172-A1 ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES AADAC, PAICS, PNPO OPRM1 3913/4885OPRD1 4364/4885OPRK1 4202/4885

“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.