SCHEMBL24494253

SCHEMBL24494253

CNc1ccc2nc(C(F)(F)F)cc(N(C)[C@H]3CC[C@@H](NC(=O)c4ccc(N(C)C)cc4)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 8/20 0.42
▸ ADRA2A P08913 5/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HTR2A P28223 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ ADRA1A P35348 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ PTK2 Q05397 1/20 0.37

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
SCHEMBL24493891 0.88 MCHR1 (0.51) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL24359996 0.88 MCHR1 (0.46) MCHR1ADRA2AMAPTHTR2ADRD3
SCHEMBL29632342 0.88 MCHR1 (0.46) MCHR1ADRA2AMAPTHTR2ADRD3
SCHEMBL24494109 0.88 TACR2 (0.42) MCHR1ADRA2AMAPTADRA1AHRH1
SCHEMBL24360023 0.88 MCHR1 (0.46) MCHR1ADRA2AMAPTHTR2ADRD3
SCHEMBL24494236 0.85 TACR1 (0.48) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL24494406 0.82 MCHR1 (0.46) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL24494107 0.81 MCHR1 (0.42) MCHR1ADRA2AMAPTADRA1AHRH1
SCHEMBL24493911 0.81 MCHR1 (0.55) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL24494025 0.81 MCHR1 (0.47) MCHR1ADRA2AADRA1AHRH1HTR1A

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-20220177434-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2022-06-09 — — 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-20220177434-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 MCHR1 34/4885ADRA2A 173/4885MAPT 4524/4885

“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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