SCHEMBL18725403

SCHEMBL18725403

COc1cnc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.52
▸ CNR1 P21554 8/20 0.47
▸ TDO2 P48775 1/20 0.45
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ CHRM1 P11229 2/20 0.43
▸ TACR2 P21452 1/20 0.42
▸ OPRK1 P41145 2/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ ANO1 Q5XXA6 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL18725365 0.81 CHRM1 (0.55) CNR2PDCD1CD274CHRM1
SCHEMBL18756556 0.81 CHRM1 (0.55) CNR2PDCD1CD274CHRM1
SCHEMBL18725439 0.77 CNR1 (0.49) CNR2CNR1TDO2CHRM1
SCHEMBL18756367 0.76 CHRM1 (0.58) CNR2PDCD1CD274CHRM1
SCHEMBL18725391 0.76 CHRM1 (0.58) CNR2PDCD1CD274CHRM1
SCHEMBL18725385 0.76 CHRM1 (0.58) CNR2PDCD1CD274CHRM1
SCHEMBL29934007 0.74 CNR1 (0.49) CNR2CNR1TDO2TACR2TAS1R3
SCHEMBL18725446 0.74 CNR1 (0.52) CNR2CNR1CHRM1TACR2ANO1
SCHEMBL18725447 0.74 CNR1 (0.52) CNR2CNR1CHRM1TACR2ANO1
SCHEMBL18725444 0.74 CNR1 (0.52) CNR2CNR1CHRM1TACR2ANO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3156397-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-04 — — US disclosed
EP-3156397-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-04-19 — — EP 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-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CNR2 55/4885CNR1 27/4885TDO2 3420/4885

“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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