SCHEMBL29316878

SCHEMBL29316878

CN(c1cc(C(F)(F)F)nc(C(F)(F)F)c1)[C@H]1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.47
▸ FAAH O00519 1/20 0.45
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTR4 Q13639 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ MCHR1 Q99705 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
SCHEMBL29316688 0.88 BRD4 (0.43) AHRL3MBTL1MAPTKMT2AMEN1
SCHEMBL24512826 0.84 AHR (0.51) AHRFAAHRAB9AL3MBTL1MAPT
SCHEMBL29665861 0.84 AHR (0.51) AHRFAAHRAB9AL3MBTL1MAPT
SCHEMBL25605757 0.81 AHR (0.44) AHRFAAHRAB9AL3MBTL1MAPT
SCHEMBL29316540 0.81 AR (0.43) FAAHRAB9AL3MBTL1MAPTKMT2A
SCHEMBL29315568 0.80 AHR (0.47) AHRFAAHRAB9AL3MBTL1MAPT
SCHEMBL29316985 0.80 SMYD3 (0.54) FAAHRAB9AKMT2AMEN1NPC1
SCHEMBL29316963 0.77 HPGD (0.48) RAB9ANPC1ALDH1A1
SCHEMBL29316367 0.76 KDM4E (0.46) RAB9ANPC1ADRA2AMCHR1SMN1; SMN2
SCHEMBL29316658 0.75 HDAC4 (0.44) RAB9ANPC1ADRA2AMCHR1SMN1; SMN2

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 1987/4885FAAH 1302/4885RAB9A 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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