SCHEMBL22614216

SCHEMBL22614216

O=C(O)N[C@H]1CC[C@H](N2CCN(c3ccc(C(F)(F)F)nc3)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ CHRM4 P08173 4/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP3A5 P20815 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ FPR2 P25090 3/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ FPR1 P21462 1/20 0.37
▸ DHFR P00374 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PRSS1 P07477 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
SCHEMBL22616382 0.94 CNR1 (0.38) CCNCCDK8CHRM4CHRM2CYP3A4
SCHEMBL29409135 0.85 ALDH1A1 (0.45) CHRM4
SCHEMBL28723804 0.85 ALDH1A1 (0.45) CHRM4
SCHEMBL22612416 0.79 ATF4 (0.58) —
SCHEMBL22612418 0.79 ATF4 (0.58) —
SCHEMBL29159614 0.77 CCNC (0.36) CCNCCDK8CHRM4CYP3A4CNR1
SCHEMBL29409028 0.77 CCNC (0.36) CCNCCDK8CHRM4CYP3A4CNR1
SCHEMBL29408908 0.77 CCNC (0.36) CCNCCDK8CHRM4CYP3A4CNR1
SCHEMBL21580330 0.76 DPP4 (0.47) CHRM4CHRM2
SCHEMBL23387323 0.75 CCNC (0.63) CCNCCDK8CHRM4CHRM2CYP3A4

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-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 — — 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-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 CCNC 2570/4885CDK8 685/4885CHRM4 4210/4885

“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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