SCHEMBL25604083

SCHEMBL25604083

CNc1ccccc1C(=O)N[C@H]1CC[C@@H](N(C)c2cccc3nc(C(F)(F)F)cn23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TYK2 P29597 4/20 0.37
▸ PKM P14618 1/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ DRD4 P21917 2/20 0.35

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
SCHEMBL25604065 0.89 MEN1 (0.42) HCRTR1DRD4NPC1RAB9A
SCHEMBL25604567 0.89 MCHR1 (0.37) KDM4EALDH1A1HSD17B10PDE4BPDE4D
SCHEMBL25604224 0.88 DRD4 (0.36) KDM4EALDH1A1HSD17B10PDE4BPDE4D
SCHEMBL25604078 0.87 KMT2A (0.42) KDM4EL3MBTL1PDE4BHCRTR1NPC1
SCHEMBL25604714 0.87 DRD3 (0.42) TYK2PDE4BPDE4DPDE4APDE4C
SCHEMBL25606159 0.86 ADRA2A (0.45) KDM4EALDH1A1HSD17B10PDE4BPDE4D
SCHEMBL25604073 0.86 PDE4B (0.37) KDM4EALDH1A1HSD17B10PDE4BPDE4D
SCHEMBL25604145 0.86 NPC1 (0.41) ADRA1APDE4BPDE4DPDE4APDE4C
SCHEMBL25604123 0.85 NPC1 (0.51) ADRA1AKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL25605157 0.85 NPC1 (0.40) ADRA1AKDM4EALDH1A1GAAPDE4B

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 ADRA1D 164/4885ADRA1A 327/4885ADRA1B 254/4885
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 ADRA1D 164/4885ADRA1A 327/4885ADRA1B 254/4885

“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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