Sugi Predict

Sugi Predict / Compounds / SCHEMBL2692008

SCHEMBL2692008

SCHEMBL2692008

CC(C)(C)c1ccc(C2CCC(CN3C(=O)c4ccccc4C3=O)O2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.56
▸ SLC6A4 P31645 2/20 0.56
▸ SLC6A3 Q01959 2/20 0.56
▸ CYP2C9 P11712 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PSEN1 P49768 5/20 0.39
▸ ACHE P22303 2/20 0.39
▸ TNKS O95271 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PARP3 Q9Y6F1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ CES1 P23141 1/20 0.37

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
SCHEMBL2697740 0.86 CYP1A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2C9CYP1A2
SCHEMBL2690627 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CYP2C9CYP1A2
SCHEMBL2689807 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CYP2C9CYP1A2
SCHEMBL2691186 0.83 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2C9CYP1A2
SCHEMBL2745262 0.81 CYP2C9 (0.46) SLC6A2SLC6A4SLC6A3CYP2C9CYP1A2
SCHEMBL12633751 0.81 CYP2C9 (0.46) SLC6A2SLC6A4SLC6A3CYP2C9CYP1A2
SCHEMBL20040059 0.81 CYP2C9 (0.46) SLC6A2SLC6A4SLC6A3CYP2C9CYP1A2
SCHEMBL2745129 0.81 CYP2C9 (0.46) SLC6A2SLC6A4SLC6A3CYP2C9CYP1A2
SCHEMBL12633746 0.81 CYP2C9 (0.46) SLC6A2SLC6A4SLC6A3CYP2C9CYP1A2
SCHEMBL2745414 0.81 CYP2C9 (0.51) CYP2C9CYP1A2CYP2C19ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2013-05-16 — — US disclosed
US-8168635-B2 2-(aminomethyl)-5-phenyltetrahydrofuran; 4-(3,4-Dimethoxyphenyl)-2-[5-(2-{5-[2-(5-fluoro-2-methoxyphenyl)-ethyl]-tetrahydrofuran-2-yl}-ethylamino)-pentyl]-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; dual inhibitor of serotonin reuptake and phosphodiesterase 4 (PDE4) enzyme activity HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-05-01 — — US disclosed
US-20080261967-A1 Modulators of Central Nervous System Neurotransmitters HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-10-23 — — 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 (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-20080261967-A1 Modulators of Central Nervous System Neurotransmitters GAP43, SLC18A2, CHRNA6 SLC6A2 47/4885SLC6A4 104/4885SLC6A3 54/4885
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 SLC6A2 47/4885SLC6A4 104/4885SLC6A3 54/4885

“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.