SCHEMBL29839366

SCHEMBL29839366

Cc1cn(-c2ccccc2OCC(F)(F)F)c(=O)c2c(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.41
▸ OXTR P30559 2/20 0.39
▸ AVPR2 P30518 1/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ SPR P35270 2/20 0.37
▸ CACNB4 O00305 1/20 0.37
▸ CACNA1A O00555 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNG3 O60359 1/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNB3 P54284 1/20 0.37
▸ CACNA2D1 P54289 1/20 0.37
▸ CACNG7 P62955 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ CACNA1D Q01668 1/20 0.37
▸ CACNB1 Q02641 1/20 0.37
▸ CACNG1 Q06432 1/20 0.37
▸ CACNB2 Q08289 1/20 0.37

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
SCHEMBL22729571 1.00 CNR1 (0.41) CNR1OXTRAVPR2AVPR1AMGLL
SCHEMBL29839340 0.89 CACNB4 (0.45) CNR1OXTRAVPR2AVPR1AMGLL
SCHEMBL22729645 0.89 CACNB4 (0.45) CNR1OXTRAVPR2AVPR1AMGLL
SCHEMBL29839304 0.83 MAPT (0.39) CNR1OXTRAVPR2AVPR1AMGLL
SCHEMBL22729599 0.83 MAPT (0.39) CNR1OXTRAVPR2AVPR1AMGLL
SCHEMBL22729594 0.81 SPR (0.38) CNR1SPR
SCHEMBL22729782 0.78 UGCG (0.43) CYP3A4
SCHEMBL23139902 0.78 UGCG (0.42) CYP3A4
SCHEMBL22729663 0.76 KDM4E (0.45) —
SCHEMBL22729461 0.75 KCNH2 (0.41) CNR1SPRCYP3A4PRKAA2

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-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — 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-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC CNR1 851/4885OXTR 4254/4885AVPR2 2272/4885

“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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