SCHEMBL29316827

SCHEMBL29316827

CN(C)c1ccc(C(=O)N[C@H]2CC[C@@H](N(C)c3cc(C(F)(F)F)nc(C(F)(F)F)n3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 11/20 0.44
▸ ADRA2A P08913 7/20 0.44
▸ HRH1 P35367 5/20 0.44
▸ ADRA1A P35348 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HDAC4 P56524 3/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ AR P10275 1/20 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
SCHEMBL29316367 0.86 KDM4E (0.46) MCHR1ADRA2AHRH1ADRA1AKDM4E
SCHEMBL24632332 0.85 MCHR1 (0.47) MCHR1ADRA2AHRH1ADRA1AKDM4E
SCHEMBL29316597 0.85 MCHR1 (0.49) MCHR1ADRA2AHRH1ADRA1AKDM4E
SCHEMBL24493891 0.81 MCHR1 (0.51) MCHR1ADRA2AHRH1ADRA1AKDM4E
SCHEMBL29665947 0.80 MCHR1 (0.51) MCHR1ADRA2AHRH1ADRA1AKDM4E
SCHEMBL24632297 0.80 MCHR1 (0.51) MCHR1ADRA2AHRH1ADRA1AKDM4E
SCHEMBL24632299 0.79 MCHR1 (0.55) MCHR1ADRA2AHRH1ADRA1AKDM4E
SCHEMBL29665846 0.79 MCHR1 (0.55) MCHR1ADRA2AHRH1ADRA1AKDM4E
SCHEMBL24494253 0.79 MCHR1 (0.42) MCHR1ADRA2AHRH1ADRA1AKDM4E
SCHEMBL29316658 0.77 HDAC4 (0.44) MCHR1ADRA2AHRH1ADRA1AKDM4E

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MCHR1 39/4885ADRA2A 126/4885HRH1 479/4885

“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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