SCHEMBL29316367

SCHEMBL29316367

CN(C)c1ccc(C(=O)N[C@H]2CC[C@@H](N(C)c3cc(C(F)(F)F)nc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MCHR1 Q99705 11/20 0.45
▸ ADRA2A P08913 6/20 0.45
▸ HRH1 P35367 4/20 0.45
▸ ADRA1A P35348 3/20 0.45
▸ HDAC4 P56524 4/20 0.45
▸ GRM5 P41594 1/20 0.44
▸ AR P10275 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ HTR2B P41595 3/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HDAC6 Q9UBN7 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
SCHEMBL29316597 0.94 MCHR1 (0.49) KDM4ENPC1RAB9AGFERSMN1; SMN2
SCHEMBL29316658 0.90 HDAC4 (0.44) KDM4ENPC1RAB9AGFERSMN1; SMN2
SCHEMBL29316797 0.90 MCHR1 (0.51) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL29316888 0.89 CYP3A4 (0.47) NPC1RAB9ASMN1; SMN2MCHR1ADRA2A
SCHEMBL24512958 0.87 MLYCD (0.45) KDM4EGFERHDAC4GRM5TAS1R3
SCHEMBL29316779 0.87 NPC1 (0.51) NPC1RAB9AMCHR1ADRA2AHRH1
SCHEMBL29665947 0.87 MCHR1 (0.51) KDM4ENPC1RAB9AGFERSMN1; SMN2
SCHEMBL24632297 0.87 MCHR1 (0.51) KDM4ENPC1RAB9AGFERSMN1; SMN2
SCHEMBL29316827 0.86 MCHR1 (0.44) KDM4ENPC1RAB9AGFERSMN1; SMN2
SCHEMBL29317030 0.86 SMYD3 (0.54) NPC1RAB9AHDAC4ARHTR2A

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 KDM4E 4624/4885NPC1 2243/4885RAB9A 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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