SCHEMBL25604133

SCHEMBL25604133

CN(c1cccc2nc(C(F)(F)F)cn12)[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ AR P10275 2/20 0.39
▸ TTK P33981 1/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ DRD2 P14416 4/20 0.37
▸ HTR2A P28223 4/20 0.37
▸ DRD3 P35462 4/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ EPHX2 P34913 2/20 0.36
▸ EGLN1 Q9GZT9 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
SCHEMBL25604121 0.92 ADRA2A (0.47) NPC1RAB9AADRA2AMCHR1PDE4B
SCHEMBL25604202 0.89 NPC1 (0.42) NPC1RAB9AADRA2AMCHR1HDAC4
SCHEMBL25605107 0.89 MCHR1 (0.43) NPC1RAB9AADRA2AMCHR1HDAC4
SCHEMBL25606159 0.89 ADRA2A (0.45) NPC1RAB9AADRA2AMCHR1PDE4B
SCHEMBL25604145 0.89 NPC1 (0.41) NPC1RAB9AADRA2AMCHR1DRD2
SCHEMBL25604129 0.89 MCHR1 (0.42) NPC1RAB9AARADRA2AMCHR1
SCHEMBL25605122 0.89 NPC1 (0.41) NPC1RAB9AARADRA2AMCHR1
SCHEMBL25604207 0.88 NPC1 (0.39) NPC1RAB9ATTKADRA2AMCHR1
SCHEMBL25605157 0.88 NPC1 (0.40) NPC1RAB9AADRA2AMCHR1DRD2
SCHEMBL25604204 0.87 MEN1 (0.38) NPC1RAB9AADRA2AMCHR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
US-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-06-06 — — 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 (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-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 NPC1 2003/4885RAB9A 478/4885AR 718/4885
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 NPC1 2003/4885RAB9A 478/4885AR 718/4885

“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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