SCHEMBL24632248

SCHEMBL24632248

O=C(N[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)nc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.52
▸ SLC6A12 P48065 1/20 0.47
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ CNR1 P21554 2/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ CRHR1 P34998 3/20 0.42
▸ NTRK1 P04629 1/20 0.41

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
SCHEMBL29665876 1.00 HPGD (0.52) HPGDSLC6A12RAB9ANPC1CNR1
SCHEMBL29315597 0.93 HPGD (0.47) HPGDSLC6A12RAB9ANPC1CNR1
SCHEMBL29665823 0.85 MCHR1 (0.52) RAB9ANPC1
SCHEMBL24632286 0.85 MCHR1 (0.52) RAB9ANPC1
SCHEMBL29316963 0.83 HPGD (0.48) HPGDSLC6A12RAB9ANPC1CNR1
SCHEMBL29077678 0.80 HPGD (0.71) HPGDSLC6A12RAB9ANPC1CNR1
SCHEMBL24512936 0.78 MCHR1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2DRD2
SCHEMBL24512919 0.78 MCHR1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2DRD2
SCHEMBL24632330 0.77 NPC1 (0.53) RAB9ANPC1
SCHEMBL29665979 0.77 NPC1 (0.53) RAB9ANPC1

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 7 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-11952346-B2 Modulators of mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2024-04-09 — — US disclosed
EP-4259604-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-18 — — EP 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
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 (3 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-11952346-B2 Modulators of mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 HPGD 1537/4885SLC6A12 2664/4885RAB9A 641/4885
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 HPGD 1537/4885SLC6A12 2664/4885RAB9A 641/4885
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 HPGD 1537/4885SLC6A12 2664/4885RAB9A 641/4885

“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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