SCHEMBL4011074

SCHEMBL4011074

CCOC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 6/20 0.65
▸ CHRNA7 P36544 3/20 0.58
▸ FAAH O00519 2/20 0.56
▸ MALT1 Q9UDY8 1/20 0.55
▸ CA9 Q16790 3/20 0.55
▸ MARS1 P56192 1/20 0.54
▸ PPP1CA P62136 2/20 0.54
▸ TP53 P04637 1/20 0.53

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
SCHEMBL9054421 0.90 CA9 (0.65) RPA1CHRNA7FAAHMALT1CA9
SCHEMBL9353410 0.89 CHRNA7 (0.72) RPA1CHRNA7FAAHMALT1CA9
SCHEMBL9350647 0.87 CA9 (0.71) RPA1CHRNA7FAAHMALT1CA9
SCHEMBL14504353 0.86 CA9 (0.61) RPA1CHRNA7FAAHMALT1CA9
SCHEMBL9212244 0.85 CHRNA7 (0.72) RPA1CHRNA7FAAHMALT1CA9
SCHEMBL5148820 0.84 CA9 (0.57) RPA1CHRNA7FAAHMALT1CA9
SCHEMBL14504949 0.83 RPA1 (0.58) RPA1CHRNA7FAAHMALT1CA9
SCHEMBL5148748 0.83 CA9 (0.58) RPA1CHRNA7FAAHMALT1CA9
SCHEMBL7467365 0.83 CA9 (0.58) RPA1CHRNA7FAAHMALT1CA9
SCHEMBL9199925 0.82 CA9 (0.68) RPA1CHRNA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 — — EP disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 — — US disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 — — US disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 — — US disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 — — EP disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 — — US disclosed
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 — — EP disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 — — US disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 — — WO disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 — — US disclosed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 — — EP disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 — — US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 — — US disclosed
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 — — WO disclosed
US-20040067983-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 — — US disclosed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 — — 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 (5 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R RPA1 3350/4885CHRNA7 359/4885FAAH 429/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR RPA1 2496/4885CHRNA7 1089/4885FAAH 1468/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR RPA1 2496/4885CHRNA7 1089/4885FAAH 1468/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 RPA1 1488/4885CHRNA7 653/4885FAAH 297/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R RPA1 1636/4885CHRNA7 674/4885FAAH 980/4885

“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.

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