SCHEMBL6787602

SCHEMBL6787602

CCCC[Sn](CCCC)(CCCC)Cc1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
EPHX2 P34913 2/20 0.47
AOC3 Q16853 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CHRM2 P08172 3/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 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
SCHEMBL2894940 0.97 TAAR1 (0.47) TAAR1IDO1AGXTEPHX2AOC3
SCHEMBL6785733 0.80 IDO1 (0.44) TAAR1IDO1AGXTAOC3
SCHEMBL145383 0.78 CHRM2 (0.65) TAAR1AOC3MTNR1AMTNR1BCHRM2
SCHEMBL28123652 0.77 CYP1A2 (0.50) TAAR1IDO1AGXT
SCHEMBL6785971 0.77 TAAR1 (0.46) TAAR1IDO1AGXTAOC3CHRM2
SCHEMBL1396277 0.77 TAAR1 (0.46) TAAR1IDO1AGXT
1,3-Dimethoxybenzene SCHEMBL28268904 0.76 ACHE (0.44) TAAR1IDO1AGXTEPHX2MTNR1A
SCHEMBL4817193 0.76 CHRM2 (0.63) TAAR1MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL1350580 0.75 DNM1 (0.44) EPHX2
SCHEMBL9796229 0.75 PPARG (0.61) TAAR1EPHX2MTNR1AMTNR1BCHRM2

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-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG TAAR1 2269/4885IDO1 3237/4885AGXT 4679/4885

“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.