SCHEMBL24512945

SCHEMBL24512945

O=C(N[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)nc(C(F)(F)F)c2)CC1)c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.58
▸ CHRNA7 P36544 1/20 0.48
▸ TNKS O95271 1/20 0.47
▸ CHEK1 O14757 1/20 0.46
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ RBP4 P02753 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40

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
SCHEMBL29665814 1.00 SMYD3 (0.58) SMYD3CHRNA7TNKSCHEK1DRD2
SCHEMBL29315602 0.93 SMYD3 (0.53) SMYD3CHRNA7TNKSCHEK1DRD2
SCHEMBL29316985 0.84 SMYD3 (0.54) SMYD3CHRNA7TNKSCHEK1DRD2
SCHEMBL24512919 0.80 MCHR1 (0.51) SMYD3DRD2SMN1; SMN2NPC1RAB9A
SCHEMBL24512936 0.80 MCHR1 (0.51) SMYD3DRD2SMN1; SMN2NPC1RAB9A
SCHEMBL24512826 0.78 AHR (0.51) SMN1; SMN2NPC1RAB9AFAAH
SCHEMBL29665861 0.78 AHR (0.51) SMN1; SMN2NPC1RAB9AFAAH
SCHEMBL21490100 0.77 SMYD3 (0.74) SMYD3CHRNA7TNKSCHEK1SMN1; SMN2
SCHEMBL19710047 0.77 SMYD3 (0.74) SMYD3CHRNA7TNKSCHEK1SMN1; SMN2
SCHEMBL30102646 0.76 SMYD3 (0.68) SMYD3CHRNA7TNKSCHEK1SMN1; SMN2

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-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
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 SMYD3 3721/4885CHRNA7 491/4885TNKS 4689/4885
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 SMYD3 3721/4885CHRNA7 491/4885TNKS 4689/4885
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 SMYD3 3721/4885CHRNA7 491/4885TNKS 4689/4885

“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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