SCHEMBL24512915

SCHEMBL24512915

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ DRD2 P14416 4/20 0.42
▸ CCRL2 O00421 1/20 0.42
▸ ADRA2A P08913 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ BTK Q06187 2/20 0.41
▸ STS P08842 1/20 0.41
▸ RHOC P08134 1/20 0.40
▸ RHOA P61586 1/20 0.40
▸ CXCR3 P49682 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KCNA3 P22001 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ EPHX2 P34913 2/20 0.39

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
SCHEMBL29665851 1.00 KDM1A (0.44) KDM1AMAOBDRD2CCRL2ADRA2A
SCHEMBL22731725 0.87 KDM1A (0.47) KDM1AMAOBDRD2CCRL2MAPT
SCHEMBL22731828 0.87 KDM1A (0.47) KDM1AMAOBDRD2CCRL2MAPT
SCHEMBL22719733 0.87 KDM1A (0.47) KDM1AMAOBDRD2CCRL2MAPT
SCHEMBL6458230 0.84 ADRA2A (0.51) KDM1AMAOBDRD2CCRL2ADRA2A
SCHEMBL3892714 0.83 CXCR3 (0.45) KDM1AMAOBDRD2CCRL2CXCR3
SCHEMBL4275118 0.83 CXCR3 (0.45) KDM1AMAOBDRD2CCRL2CXCR3
SCHEMBL3892711 0.83 CXCR3 (0.45) KDM1AMAOBDRD2CCRL2CXCR3
SCHEMBL31206112 0.82 KDM1A (0.47) KDM1AMAOBDRD2BTKDRD3
SCHEMBL22018446 0.79 MEN1 (0.46) KDM1AMAOBDRD2CCRL2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2024-07-18 — — US disclosed
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2024-07-18 — — US disclosed
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2022-10-27 — — US disclosed
WO-2022125636-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-16 — — WO 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-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 KDM1A 4583/4885MAOB 3515/4885DRD2 280/4885
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 KDM1A 4583/4885MAOB 3515/4885DRD2 280/4885

“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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