SCHEMBL31682181

SCHEMBL31682181

CN(C)CCNCc1ccc(-c2ccccc2-c2cccc3c2CN(C)C3=O)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTR6 P50406 4/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HRH1 P35367 3/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DRD1 P21728 1/20 0.33

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
SCHEMBL31682173 0.89 AMY1A (0.39) AMY1AHTR6PDCD1CD274USP2
SCHEMBL31682201 0.86 AMY1A (0.35) AMY1AHTR6PDCD1CD274USP2
SCHEMBL31682179 0.86 ALDH1A1 (0.37) AMY1AHTR6PDCD1CD274TP53
SCHEMBL31682190 0.84 LDHA (0.40) AMY1AHTR6L3MBTL1FTOALDH1A1
SCHEMBL31682193 0.84 SOS1 (0.40) AMY1APDCD1CD274TP53HRH1
SCHEMBL31682178 0.83 UGCG (0.34) AMY1AHTR6PDCD1CD274TP53
SCHEMBL31682174 0.81 HRH1 (0.48) AMY1AHTR6MTORTP53HRH1
SCHEMBL31682198 0.79 USP2 (0.36) OPRM1OPRK1PDCD1CD274USP2
SCHEMBL31682194 0.79 ALDH1A1 (0.37) L3MBTL1LMNAMAPTALDH1A1
SCHEMBL31682177 0.79 UGCG (0.34) LMNAMAPTALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289808-A1 NOVEL CARBOXAMIDE REDOX DERIVATIVE OF INHIBITING BET PROTEIN AND COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISEASES USING THE SAME BenoBio Co., Ltd (KR) 2025-09-18 — — US disclosed
EP-4613329-A1 COMPOUND FOR INHIBITING BRD PROTEIN Benobio Co., Ltd. (KR) 2025-09-10 — — EP 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-20250289808-A1 NOVEL CARBOXAMIDE REDOX DERIVATIVE OF INHIBITING BET PROTEIN AND COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISEASES USING THE SAME BET1, BRD4, BRD3 AMY1A 3698/4885OPRM1 4288/4885OPRK1 3828/4885

“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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