SCHEMBL6337807

SCHEMBL6337807

CCC(=O)c1cccc2sccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
MGLL Q99685 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL6327050 0.88 ALDH1A1 (0.40) CNR2MGLLCYP1A2CYP3A4GAA
SCHEMBL4831587 0.84 CNR2 (0.41) CNR2MGLLCYP1A2HDAC3HDAC4
SCHEMBL6327807 0.83 GSK3B (0.44) CNR2MGLLCYP1A2HDAC3HDAC4
SCHEMBL14380682 0.83 CNR2 (0.41) CNR2MGLLCYP1A2HDAC3HDAC4
SCHEMBL4529633 0.83 PTPN1 (0.54) CNR2MGLLCYP1A2HDAC3HDAC4
SCHEMBL827674 0.80 CNR2 (0.44) CNR2MGLLGAAHDAC3HDAC4
SCHEMBL4831567 0.80 LMNA (0.46) CNR2MGLLCYP1A2CYP3A4CYP2C19
SCHEMBL9495752 0.79 TSHR (0.56) CYP1A2CYP3A4GAACYP2C19POLB
SCHEMBL2083799 0.78 NR4A1 (0.48) CNR2CYP1A2HDAC3HDAC4HDAC1
SCHEMBL6329458 0.78 MGLL (0.42) CNR2MGLLOPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900216-B2 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2005-05-31 US disclosed
US-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2003-09-04 US disclosed
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP disclosed
EP-1268489-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS Knoll GmbH (DE) 2003-01-02 EP disclosed
WO-2001068653-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS KNOLL GMBH (DE) 2001-09-20 WO disclosed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 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 (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-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents GPR119, HTR3B, HTR2B CNR2 126/4885MGLL 3579/4885CYP1A2 333/4885

“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.