SCHEMBL29316688

SCHEMBL29316688

CN(c1cc(C(F)(F)F)nc(C(F)(F)F)c1)[C@H]1CC[C@@H](NC(=O)c2cccc3[nH]ccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ABCB11 O95342 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ DHPS P49366 1/20 0.39
▸ CD38 P28907 1/20 0.39
▸ AR P10275 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ PTGES O14684 4/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL29316878 0.88 AHR (0.47) L3MBTL1MEN1POLBMAPTKMT2A
SCHEMBL24632282 0.85 BRD4 (0.44) BRD4L3MBTL1ABCB11BRD2BRD3
SCHEMBL29665828 0.85 BRD4 (0.44) BRD4L3MBTL1ABCB11BRD2BRD3
SCHEMBL25606054 0.82 ATR (0.40) BRD4L3MBTL1ABCB11BRD2BRD3
SCHEMBL29316483 0.81 AR (0.43) BRD4L3MBTL1ABCB11BRD2BRD3
SCHEMBL29316985 0.77 SMYD3 (0.54) MEN1KMT2AADRA2AMCHR1
Hydrochloric Acid SCHEMBL2039646 0.77 L3MBTL1 (0.56) BRD4L3MBTL1ABCB11BRD2BRD3
SCHEMBL29316963 0.76 HPGD (0.48) KDR
SCHEMBL29316717 0.75 NPC1 (0.44) BRD4PTGESPTK2ADRA2AMCHR1
SCHEMBL29316367 0.75 KDM4E (0.46) ARADRA2AMCHR1

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 BRD4 1065/4885L3MBTL1 4417/4885ABCB11 1896/4885

“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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