SCHEMBL29316564

SCHEMBL29316564

CN(c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 12/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MCHR1 Q99705 3/20 0.43
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CTSC P53634 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ ADRA2A P08913 2/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ TACR2 P21452 1/20 0.40
▸ TACR1 P25103 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
SCHEMBL29316555 0.93 AR (0.57) ARTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL29316534 0.89 AR (0.53) ARTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL29316588 0.86 AR (0.66) AR
SCHEMBL27027445 0.84 AR (0.49) ARTAS1R3TAS1R1TAS1R2PGR
SCHEMBL24632285 0.82 AR (0.48) ARTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL29665891 0.82 AR (0.48) ARTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL29316526 0.81 AR (0.49) ARPGR
SCHEMBL29665838 0.80 AR (0.46) ARTAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL24513083 0.80 AR (0.46) ARTAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL29316518 0.79 AR (0.44) ARPGR

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 AR 658/4885TAS1R3 468/4885TAS1R1 575/4885

“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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