SCHEMBL19894151

SCHEMBL19894151

Cc1cc(C)nc(N2CCN(C(=O)c3ccccc3Cl)CCO2)n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.59
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.48
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL19894111 0.91 P2RX7 (0.52) GBA1
SCHEMBL19893980 0.88 GBA1 (0.60) GBA1ALDH1A1HTT
SCHEMBL20223578 0.88 L3MBTL1 (0.51) GBA1KMT2AKDM4E
SCHEMBL19902937 0.88 KDM4E (0.58) GBA1KMT2AKDM4EHSD17B10HTT
SCHEMBL19893962 0.85 HCRTR1 (0.58) GBA1KMT2AALDH1A1HTTMEN1
SCHEMBL19894016 0.84 HCRTR2 (0.59) GBA1ALDH1A1
SCHEMBL19894159 0.84 HCRTR1 (0.59) GBA1KMT2AKDM4EALDH1A1HPGD
SCHEMBL19894052 0.84 HCRTR1 (0.45) GBA1KMT2AKDM4EALDH1A1HPGD
SCHEMBL19894071 0.84 HCRTR1 (0.57) GBA1HTT
SCHEMBL19894104 0.84 GBA1 (0.61) GBA1

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
EP-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP 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
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 (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-20180155333-A1 Heterocyclic Compound HCRTR1, HCRTR2, OXTR GBA1 1208/4885KMT2A 730/4885RAB9A 2077/4885

“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.