SCHEMBL6886568

SCHEMBL6886568

CCCCCc1[c]ccc2c1OCO2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
CYP1A1 P04798 1/20 0.30

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
SCHEMBL7462090 0.98 CYP3A4 (0.33) AOC3ALDH1A1CYP3A4TSHRTRPV1
SCHEMBL8939774 0.82 MAOB (0.43)
SCHEMBL8143277 0.79 CYP1A1 (0.35) ALDH1A1CYP3A4TRPV1CYP1A1
SCHEMBL4060952 0.75 TAAR1 (0.33) AOC3
SCHEMBL9283980 0.74 HTR2C (0.34)
SCHEMBL631761 0.73 HTR2C (0.33) ALDH1A1CYP3A4CYP1A1
SCHEMBL1472895 0.73 HTR2C (0.33) ALDH1A1CYP3A4CYP1A1
SCHEMBL2486470 0.73 HTR2C (0.33) ALDH1A1CYP3A4CYP1A1
SCHEMBL1483219 0.73 HTR2C (0.33) ALDH1A1CYP3A4CYP1A1
SCHEMBL8925096 0.71 ABCG2 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336260-A Method and compositions using 1-aryl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid for treating depression THE DOW CHEMICAL COMPANY (US) 1982-06-22 US claimed
US-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents SCHNUTE MARK E (US) 2004-02-05 US disclosed
US-6653307-B2 Such as N-(4-chlorobenzyl)-6-(4-morpholinylmethyl)-4-oxo-1-phenyl-1,4-dihydro-3-quinolinecarboxamide for treatment of herpes virus; viral DNA polymerase inhibitors PHARMACIA & UPJOHN COMPANY 2003-11-25 US disclosed
CN-1432001-A 1-aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents UPJOHN CO (US) 2003-07-23 CN disclosed
EP-1292575-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-19 EP disclosed
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-08-01 US disclosed
WO-2001098275-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 WO disclosed
CN-1074214-A The preparation method of isoquinoline sulfone amide derivative JOHNSON MATTHEY PLC (JP) 1993-07-14 CN disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 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-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 AOC3 962/4885ALDH1A1 668/4885CYP3A4 709/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L AOC3 1242/4885ALDH1A1 463/4885CYP3A4 860/4885

“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.