SCHEMBL5043874

SCHEMBL5043874

O=C(NC1CC2CCC1C2)c1nc(-c2cc(Cl)ccc2Cl)c(-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.49
CNR1 P21554 3/20 0.46
RORC P51449 1/20 0.44
PRSS12 P56730 1/20 0.42
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL5043872 1.00 CNR2 (0.49) CNR2CNR1RORCPRSS12ALDH1A1
SCHEMBL5038488 0.87 CNR1 (0.57) CNR2CNR1ALDH1A1RAB9ATDP1
SCHEMBL5038491 0.87 CNR1 (0.57) CNR2CNR1ALDH1A1RAB9ATDP1
SCHEMBL5038531 0.87 CNR1 (0.57) CNR2CNR1ALDH1A1RAB9ATDP1
SCHEMBL5043652 0.82 CNR1 (0.50) CNR2CNR1RAB9A
SCHEMBL5037353 0.81 CNR1 (0.49) CNR2CNR1ALDH1A1RAB9ATDP1
SCHEMBL5037352 0.81 CNR1 (0.49) CNR2CNR1ALDH1A1RAB9ATDP1
SCHEMBL24976080 0.77 CNR2 (0.48) CNR2CNR1ALDH1A1RAB9ATDP1
SCHEMBL24977371 0.73 HDAC1 (0.51) CNR2CNR1ALDH1A1RAB9ATDP1
SCHEMBL5037401 0.72 CNR1 (0.61) CNR2CNR1RORCALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342032-B2 Thiazole derivatives having CB1-antagonistic, agonistic or partial agonistic activity SOLVAY PHARMACEUTICALS, INC. (NL) 2008-03-11 US disclosed
EP-1492779-A1 THIAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC, AGONISTIC OR PARTIAL AGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2005-01-05 EP disclosed
US-20040266841-A1 Thiazole derivatives having cb1-antagonistic, agonistic or partial agonistic activity ABBVIE B.V. (NL) 2004-12-30 US disclosed
WO-2003078413-A1 THIAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC, AGONISTIC OR PARTIAL AGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-09-25 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-20040266841-A1 Thiazole derivatives having cb1-antagonistic, agonistic or partial agonistic activity CNR1, CNR2, CCKAR CNR2 2/4885CNR1 1/4885RORC 375/4885

“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.