SCHEMBL933349

SCHEMBL933349

CC(C(=O)O)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
CYP1A2 P05177 2/20 0.62
ALDH1A1 P00352 3/20 0.56
SLC6A3 Q01959 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
PTGS2 P35354 1/20 0.46
LMNA P02545 3/20 0.45
NAPRT Q6XQN6 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 3/20 0.45
ABCB11 O95342 1/20 0.45
ESR1 P03372 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2C9 P11712 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL6264784 1.00 CYP3A4 (0.62) CYP3A4CYP1A2ALDH1A1SLC6A3SLC6A2
Hydrogen Sulfide SCHEMBL8052104 0.98 CYP3A4 (0.60) CYP3A4CYP1A2ALDH1A1SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL28672927 0.98 CYP3A4 (0.60) CYP3A4CYP1A2ALDH1A1SLC6A3SLC6A2
SCHEMBL3289319 0.88 CYP3A4 (0.62) CYP3A4CYP1A2ALDH1A1SLC6A3SLC6A2
SCHEMBL9484896 0.86 CYP1A2 (0.49) CYP3A4CYP1A2ALDH1A1SLC6A2POLB
SCHEMBL27536605 0.86 CYP1A2 (0.64) CYP3A4CYP1A2ALDH1A1SLC6A3SLC6A2
SCHEMBL2398644 0.83 CYP1A2 (0.81) CYP3A4CYP1A2ALDH1A1SLC6A3SLC6A2
SCHEMBL4389584 0.82 CYP3A4 (0.60) CYP3A4CYP1A2ALDH1A1SLC6A3SLC6A2
SCHEMBL29627913 0.82 CYP1A2 (0.60) CYP3A4CYP1A2ALDH1A1SLC6A3SLC6A2
SCHEMBL626825 0.82 CYP1A2 (0.60) CYP3A4CYP1A2ALDH1A1SLC6A3SLC6A2

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-4714446-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2026-03-25 EP disclosed
US-20250367143-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARM INC (US) 2025-12-04 US disclosed
US-20250367158-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARM INC (US) 2025-12-04 US disclosed
EP-4543857-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2025-04-30 EP disclosed
EP-4543848-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2025-04-30 EP disclosed
EP-4413985-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2024-08-14 EP disclosed
WO-2023250059-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. (US) 2023-12-28 WO disclosed
WO-2023250060-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. (US) 2023-12-28 WO disclosed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO disclosed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO disclosed
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5677329-A ANTAGONIST TO EPIDERMAL GROWTH FACTOR RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-10-14 US disclosed
US-5597837-A Method and composition for treating psoriasis with styryl-substituted pyridyl compounds Rh one-Poulenc Rorer Pharmaceuticals Inc. (US) 1997-01-28 US disclosed
EP-0163506-B1 PROCESS FOR THE PREPARATION OF A PYRIDIL-PROPANOIC ACID SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-11-02 EP disclosed
EP-0162776-B1 HETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS USEFUL AS ALDOSE REDUCTASE INHIBITORS CONTAINING THEM LABORATOIRES UPSA (FR) 1989-04-19 EP disclosed
EP-0163506-A2 Process for the preparation of a pyridil-propanoic acid SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-12-04 EP disclosed
EP-0162776-A2 Heterocyclic derivatives, process for their preparation and medicaments useful as aldose reductase inhibitors containing them LABORATOIRES UPSA (FR) 1985-11-27 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 (2 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-20250367143-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR84, GPR68 CYP3A4 4147/4885CYP1A2 2876/4885ALDH1A1 2684/4885
US-20250367158-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR68, HTR2A CYP3A4 4007/4885CYP1A2 2531/4885ALDH1A1 2000/4885

“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.