SCHEMBL29316985

SCHEMBL29316985

CN(c1cc(C(F)(F)F)nc(C(F)(F)F)c1)[C@H]1CC[C@@H](NC(=O)c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.54
▸ TNKS O95271 1/20 0.46
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ CHRNA7 P36544 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ RBP4 P02753 1/20 0.40
▸ PARP1 P09874 2/20 0.39
▸ FASN P49327 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL29665814 0.84 SMYD3 (0.58) SMYD3TNKSDRD2DRD3CHRNA7
SCHEMBL24512945 0.84 SMYD3 (0.58) SMYD3TNKSDRD2DRD3CHRNA7
SCHEMBL29316878 0.80 AHR (0.47) MEN1KMT2ASMN1; SMN2ADRA2AMCHR1
SCHEMBL29315602 0.80 SMYD3 (0.53) SMYD3TNKSDRD2DRD3CHRNA7
SCHEMBL29316688 0.77 BRD4 (0.43) MEN1KMT2AADRA2AMCHR1
SCHEMBL29316367 0.77 KDM4E (0.46) DRD3SMN1; SMN2ADRA2AMCHR1NPC1
SCHEMBL29316658 0.76 HDAC4 (0.44) SMN1; SMN2ADRA2AMCHR1NPC1RAB9A
SCHEMBL29316797 0.76 MCHR1 (0.51) MEN1KMT2AADRA2AMCHR1NPC1
SCHEMBL29316953 0.76 DRD2 (0.46) DRD2DRD3ADRA2AMCHR1NPC1
SCHEMBL21490100 0.74 SMYD3 (0.74) SMYD3TNKSCHRNA7SMN1; SMN2CHEK1

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 SMYD3 3721/4885TNKS 4689/4885DRD2 280/4885

“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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