SCHEMBL19894074

SCHEMBL19894074

Cc1nc(N2CCN(C(=O)c3cc(Cl)ccc3-c3ncccn3)CCO2)cc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 14/20 0.46
▸ HCRTR2 O43614 12/20 0.46
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ P2RX7 Q99572 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL19893943 0.89 HSD17B10 (0.42) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1
SCHEMBL19894127 0.81 PDE2A (0.41) HCRTR1HCRTR2HSD17B10KDM4EP2RX7
SCHEMBL19894101 0.81 HCRTR1 (0.53) HCRTR1HCRTR2HSD17B10KDM4E
SCHEMBL20212709 0.78 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1
SCHEMBL19894036 0.78 HCRTR1 (0.41) HCRTR1HCRTR2HSD17B10KDM4E
SCHEMBL19903036 0.76 HCRTR2 (0.48) HCRTR1HCRTR2
SCHEMBL19894128 0.76 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL19893889 0.75 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL19894090 0.74 HCRTR1 (0.45) HCRTR1HCRTR2HSD17B10
SCHEMBL22383506 0.74 HSD17B10 (0.53) HCRTR1HCRTR2HSD17B10KDM4EALDH1A1

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 HCRTR1 1/4885HCRTR2 2/4885HSD17B10 1709/4885
US-10131653-B2 Heterocyclic compound HCRTR1, HCRTR2, OXTR HCRTR1 1/4885HCRTR2 2/4885HSD17B10 1709/4885

“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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