SCHEMBL24632254

SCHEMBL24632254

Cc1cc2[nH]cnc2cc1C(=O)N[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)nc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMYD3 Q9H7B4 1/20 0.43
▸ PTGES O14684 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ULK1 O75385 1/20 0.39
▸ ULK2 Q8IYT8 1/20 0.39
▸ CRHR1 P34998 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ MCHR1 Q99705 2/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP3A5 P20815 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
SCHEMBL29665841 1.00 NPC1 (0.48) NPC1LMNASMYD3PTGESEPHX1
SCHEMBL29316717 0.86 NPC1 (0.44) NPC1LMNASMYD3PTGESEPHX1
SCHEMBL24512956 0.86 NPC1 (0.42) NPC1LMNASMYD3PTGESEPHX1
SCHEMBL25598432 0.80 NPC1 (0.41) NPC1LMNASMYD3PTGESCRHR1
SCHEMBL29632150 0.79 LMNA (0.43) NPC1LMNASMYD3EPHX1CRHR1
SCHEMBL13373349 0.77 NPC1 (0.52) NPC1LMNASMYD3EPHX1RAB9A
SCHEMBL25273869 0.77 NPC1 (0.41) NPC1LMNASMYD3PTGESEPHX1
SCHEMBL25273870 0.77 NPC1 (0.41) NPC1LMNASMYD3PTGESEPHX1
SCHEMBL25606065 0.75 NPC1 (0.40) NPC1LMNASMYD3PTGESCRHR1
SCHEMBL24512826 0.73 AHR (0.51) NPC1MAPTRAB9ASMN1; SMN2KMT2A

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 8 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-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 NPC1 2243/4885LMNA 3797/4885SMYD3 3721/4885
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 NPC1 2243/4885LMNA 3797/4885SMYD3 3721/4885
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 NPC1 2243/4885LMNA 3797/4885SMYD3 3721/4885

“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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