SCHEMBL18725439

SCHEMBL18725439

Cc1nc(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Br)c1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.49
▸ CNR2 P34972 6/20 0.48
▸ TDO2 P48775 1/20 0.45
▸ CHRM1 P11229 5/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SCN9A Q15858 2/20 0.41

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
SCHEMBL18725382 0.81 CHRM1 (0.52) CNR1CHRM1
SCHEMBL18756055 0.81 CHRM1 (0.52) CNR1CHRM1
SCHEMBL29934007 0.77 CNR1 (0.49) CNR1CNR2TDO2
SCHEMBL2224924 0.77 CNR2 (0.51) CNR1CNR2TDO2KMT2ASCN9A
SCHEMBL2224921 0.77 CNR2 (0.51) CNR1CNR2TDO2KMT2ASCN9A
SCHEMBL2269430 0.77 CNR2 (0.51) CNR1CNR2TDO2KMT2ASCN9A
SCHEMBL2222196 0.77 CNR2 (0.51) CNR1CNR2TDO2KMT2ASCN9A
SCHEMBL18725403 0.77 CNR2 (0.52) CNR1CNR2TDO2CHRM1
SCHEMBL18756569 0.75 CHRM1 (0.61) CNR1CHRM1
SCHEMBL18725458 0.75 CHRM1 (0.61) CNR1CHRM1

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 CNR1 27/4885CNR2 55/4885TDO2 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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