SCHEMBL25606065

SCHEMBL25606065

Cc1cc2[nH]cnc2cc1C(=O)N[C@H]1CC[C@@H](N(C)c2cccc3nc(C(F)(F)F)cn23)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ TTK P33981 6/20 0.35
▸ PTGES O14684 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ CD38 P28907 1/20 0.34

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
SCHEMBL25598432 0.87 NPC1 (0.41) NPC1LMNASMYD3BRD4TTK
SCHEMBL25273870 0.84 NPC1 (0.41) NPC1LMNASMYD3BRD4TTK
SCHEMBL25273869 0.84 NPC1 (0.41) NPC1LMNASMYD3BRD4TTK
SCHEMBL29316717 0.81 NPC1 (0.44) NPC1LMNASMYD3BRD4PTGES
SCHEMBL25604714 0.81 DRD3 (0.42) PDE4APDE4BPDE4CPDE4DCRHR1
SCHEMBL25604202 0.80 NPC1 (0.42) NPC1LMNARAB9A
SCHEMBL25605757 0.80 AHR (0.44) NPC1RAB9A
SCHEMBL25606054 0.80 ATR (0.40) BRD4CD38
SCHEMBL25604839 0.80 KDM4E (0.36) NPC1TTKPDE4APDE4BPDE4C
SCHEMBL25604083 0.80 ADRA1D (0.38) NPC1PDE4APDE4BPDE4CPDE4D

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 NPC1 2003/4885LMNA 3604/4885SMYD3 3288/4885
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 NPC1 2003/4885LMNA 3604/4885SMYD3 3288/4885

“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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