SCHEMBL22957758

SCHEMBL22957758

CC(C)NCCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.51
▸ CHRM1 P11229 2/20 0.51
▸ CHRM3 P20309 2/20 0.51
▸ CNR1 P21554 1/20 0.50
▸ CETP P11597 5/20 0.49
▸ DAO P14920 1/20 0.47
▸ CARM1 Q86X55 3/20 0.44
▸ PRMT6 Q96LA8 3/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ VNN1 O95497 1/20 0.43
▸ NR3C1 P04150 1/20 0.43

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
SCHEMBL13713688 0.85 CARM1 (0.49) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL22957905 0.83 CHRM2 (0.66) CHRM2CHRM1CHRM3CNR1CETP
SCHEMBL10087661 0.81 CHRM2 (0.68) CHRM2CHRM1CHRM3
SCHEMBL4984619 0.81 CETP (0.49) CHRM2CHRM1CHRM3CNR1CETP
SCHEMBL22957874 0.81 CHRM2 (0.52) CHRM2CHRM1CHRM3CNR1CETP
SCHEMBL4972921 0.80 CETP (0.45) CHRM2CHRM1CHRM3CNR1CETP
SCHEMBL22957759 0.79 CETP (0.48) CHRM2CHRM1CHRM3CNR1CETP
SCHEMBL28218524 0.79 SIGMAR1 (0.50) CHRM2CHRM1CHRM3
SCHEMBL2090888 0.78 CHRM2 (0.58) CHRM2CHRM1CHRM3CNR1CETP
SCHEMBL9957662 0.78 CNR1 (0.49) CHRM2CHRM1CHRM3CNR1DAO

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-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 — — 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-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 CHRM2 4111/4885CHRM1 3581/4885CHRM3 3876/4885

“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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