SCHEMBL29315568

SCHEMBL29315568

Cc1cc(N[C@H]2CC[C@@H](NC(=O)c3c[nH]c4ccccc34)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.47
▸ NR2E1 Q9Y466 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ HTR4 Q13639 1/20 0.41
▸ ADORA2A P29274 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
SCHEMBL29665861 0.93 AHR (0.51) AHRNR2E1POLBMAPTMEN1
SCHEMBL24512826 0.93 AHR (0.51) AHRNR2E1POLBMAPTMEN1
SCHEMBL29665828 0.81 BRD4 (0.44) AHRPOLBMAPTMEN1KMT2A
SCHEMBL24632282 0.81 BRD4 (0.44) AHRPOLBMAPTMEN1KMT2A
SCHEMBL29316878 0.80 AHR (0.47) AHRPOLBMAPTMEN1KMT2A
SCHEMBL29315602 0.80 SMYD3 (0.53) FAAHRAB9ANPC1SMN1; SMN2
SCHEMBL29315597 0.77 HPGD (0.47) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL25273121 0.76 AHR (0.47) AHRNR2E1POLBMAPTMEN1
SCHEMBL25273122 0.76 AHR (0.47) AHRNR2E1POLBMAPTMEN1
SCHEMBL29696698 0.76 AHR (0.47) AHRNR2E1POLBMAPTMEN1

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 AHR 1987/4885NR2E1 460/4885POLB 4797/4885

“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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