SCHEMBL25605757

SCHEMBL25605757

CN(c1cccc2nc(C(F)(F)F)cn12)[C@H]1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.44
▸ FAAH O00519 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NR2E1 Q9Y466 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ ADRA2A P08913 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL25606054 0.90 ATR (0.40) AHRMEN1POLBMAPTKMT2A
SCHEMBL25604083 0.85 ADRA1D (0.38) RAB9ANPC1POLBMAPTL3MBTL1
SCHEMBL29696698 0.85 AHR (0.47) AHRFAAHRAB9ANPC1HTR3E
SCHEMBL25273121 0.85 AHR (0.47) AHRFAAHRAB9ANPC1HTR3E
SCHEMBL25273122 0.85 AHR (0.47) AHRFAAHRAB9ANPC1HTR3E
SCHEMBL25604230 0.85 TNKS (0.44) —
SCHEMBL25605137 0.84 TNKS (0.42) RAB9AHTR3AMAPTKMT2AMAPK14
SCHEMBL25604065 0.84 MEN1 (0.42) RAB9ANPC1MEN1KMT2A
SCHEMBL25604567 0.84 MCHR1 (0.37) RAB9ANPC1POLBMAPTADRA2A
SCHEMBL25606159 0.83 ADRA2A (0.45) RAB9ANPC1MEN1POLBMAPT

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 AHR 2072/4885FAAH 1441/4885RAB9A 478/4885
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 AHR 2072/4885FAAH 1441/4885RAB9A 478/4885

“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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