SCHEMBL25604129

SCHEMBL25604129

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.42
▸ ADRA2A P08913 3/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TACR2 P21452 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HDAC4 P56524 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL25604202 0.92 NPC1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL25605107 0.92 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL25606159 0.92 ADRA2A (0.45) MCHR1ADRA2ANPC1RAB9AMEN1
SCHEMBL25604087 0.91 MCHR1 (0.47) MCHR1ADRA2ANPC1RAB9A
SCHEMBL25604145 0.91 NPC1 (0.41) MCHR1ADRA2AHRH1ADRA1ANPC1
SCHEMBL25605122 0.91 NPC1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL25604207 0.90 NPC1 (0.39) MCHR1ADRA2AHRH1ADRA1ANPC1
SCHEMBL25605157 0.90 NPC1 (0.40) MCHR1ADRA2AHRH1ADRA1ANPC1
SCHEMBL25602086 0.89 KMT2A (0.42) MCHR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25604204 0.89 MEN1 (0.38) MCHR1ADRA2ANPC1RAB9AMEN1

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 MCHR1 35/4885ADRA2A 174/4885HRH1 461/4885
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 MCHR1 35/4885ADRA2A 174/4885HRH1 461/4885

“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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