SCHEMBL4806553

SCHEMBL4806553

COc1ccc(-n2nc(-c3ccc(Cl)c(Cl)c3)cc2CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 3/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
SRC P12931 1/20 0.45
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
MARS1 P56192 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
OPRK1 P41145 1/20 0.42
RAB9A P51151 1/20 0.42
RAD51 Q06609 1/20 0.42
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4007892 0.78 CA1 (0.64) RPA1CA1CA2CA9SRC
SCHEMBL4012708 0.78 FAAH (0.60) RPA1LMNAALDH1A1HTTMAPT
SCHEMBL5023841 0.77 KCNH2 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4807450 0.76 CCKAR (0.63) RPA1LMNAALDH1A1HTTMAPT
SCHEMBL11962167 0.73 MEN1 (0.49) CA9LMNAALDH1A1HTTMAPT
SCHEMBL4005627 0.71 RPA1 (0.54) RPA1CA1CA2CA9SRC
SCHEMBL4806786 0.71 CCKAR (0.55) RPA1CA1CA2CA9SRC
SCHEMBL9349327 0.71 PTGS2 (0.51) PTGS1PTGS2LMNAALDH1A1HTT
SCHEMBL4809023 0.70 MAPT (0.57) RPA1SRCPTGS1PTGS2LMNA
SCHEMBL6176465 0.70 PTGS2 (0.63) PTGS1PTGS2MAPTNPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP claimed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US claimed
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 WO claimed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US 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
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 (4 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 3350/4885CA1 2466/4885CA2 3355/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR RPA1 2496/4885CA1 1291/4885CA2 2026/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR RPA1 2496/4885CA1 1291/4885CA2 2026/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R RPA1 1636/4885CA1 1720/4885CA2 1896/4885

“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.