SCHEMBL19893864

SCHEMBL19893864

Cc1cc(N2CCN(C(=O)c3cc(F)c(F)cc3-c3ncc(F)cn3)CCO2)nc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 3/20 0.37
▸ HCRTR1 O43613 9/20 0.35
▸ HCRTR2 O43614 9/20 0.35
▸ PDE2A O00408 5/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SPR P35270 1/20 0.33

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
SCHEMBL19894036 0.91 HCRTR1 (0.41) GBA1HCRTR1HCRTR2KDM4EHSD17B10
SCHEMBL19894127 0.89 PDE2A (0.41) GBA1HCRTR1HCRTR2PDE2ATSHR
SCHEMBL19894116 0.89 GBA1 (0.41) GBA1HCRTR1HCRTR2TSHR
SCHEMBL19894101 0.83 HCRTR1 (0.53) HCRTR1HCRTR2KDM4EHSD17B10
SCHEMBL20223570 0.79 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL20212709 0.79 HCRTR1 (0.48) GBA1HCRTR1HCRTR2TSHR
SCHEMBL19893943 0.79 HSD17B10 (0.42) GBA1HCRTR1HCRTR2PDE2AKDM4E
SCHEMBL19894035 0.77 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL19903044 0.77 GBA1 (0.53) GBA1HCRTR1HCRTR2
SCHEMBL19894122 0.76 GBA1 (0.40) GBA1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
US-10131653-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-20 — — US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — US disclosed
EP-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 — — 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 (2 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-20180155333-A1 Heterocyclic Compound HCRTR1, HCRTR2, OXTR GBA1 1208/4885HCRTR1 1/4885HCRTR2 2/4885
US-10131653-B2 Heterocyclic compound HCRTR1, HCRTR2, OXTR GBA1 1208/4885HCRTR1 1/4885HCRTR2 2/4885

“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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