SCHEMBL931422

SCHEMBL931422

CC(CC(N)=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.48
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.39
HRH2 P25021 5/20 0.38
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
HRH1 P35367 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP2 P08253 1/20 0.38
CA9 Q16790 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
SCHEMBL6259795 1.00 EPHX1 (0.48) EPHX1ALDH1A1TP53HRH2HRH4
SCHEMBL13999779 1.00 EPHX1 (0.48) EPHX1ALDH1A1TP53HRH2HRH4
SCHEMBL20358270 0.89
SCHEMBL14000059 0.86 ALDH1A1 (0.37) EPHX1ALDH1A1HRH2HRH4HRH3
SCHEMBL6769503 0.83 ALDH1A1 (0.42) EPHX1ALDH1A1TP53CA12CA1
SCHEMBL1208925 0.81 ALDH1A1 (0.55) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL6808670 0.81 ALDH1A1 (0.55) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL17715691 0.81 ALDH1A1 (0.42) EPHX1ALDH1A1TP53CA12CA1
SCHEMBL8651989 0.81 ALDH1A1 (0.55) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL4742218 0.81 ALDH1A1 (0.42) EPHX1ALDH1A1TP53CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1512983-A Compounds and compositions as cathepsins inhibitors AXYSҩ�﹫˾ 2004-07-14 CN claimed
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 US disclosed
CN-107936039-A Tricyclic condensed thiophene derivant as JAK inhibitor 因赛特公司 2018-04-20 CN disclosed
CN-104918945-B Tricyclic fused thiophene derivatives as JAK inhibitors 因赛特公司 2018-01-05 CN disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed
CN-1512983-A Compounds and compositions as cathepsins inhibitors AXYSҩ�﹫˾ 2004-07-14 CN disclosed
EP-1361212-A1 Peptide derivatives as antithrombotic agents AstraZeneca AB (SE) 2003-11-12 EP disclosed
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP disclosed
CN-1364155-A N-Cyanomethyl amides as protease inhibitors AXYS PHARM INC (US) 2002-08-14 CN disclosed
US-5914319-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1999-06-22 US disclosed
US-5726159-A PEPTIDE THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 1998-03-10 US disclosed
US-5707966-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
US-5705487-A PEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-01-06 US disclosed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP disclosed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO 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-10369130-B2 Antibacterial compounds MRPL21, CLPP, NRDC EPHX1 3980/4885ALDH1A1 3914/4885TP53 4210/4885

“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.