SCHEMBL5035192

SCHEMBL5035192

CCOC1CCN(C(=O)c2nc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)sc2C)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
VNN1 O95497 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
PDE7B Q9NP56 1/20 0.35
AURKA O14965 1/20 0.35
PDE2A O00408 1/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 2/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL5035195 1.00 CYP3A4 (0.38) CYP3A4CNR1CNR2TSHRTAAR1
SCHEMBL5034814 0.92 RAB9A (0.37) CYP3A4TSHRRAB9A
SCHEMBL5034816 0.92 RAB9A (0.37) CYP3A4TSHRRAB9A
SCHEMBL5035145 0.87 CNR1 (0.46) CYP3A4CNR1CNR2ADORA2AADORA2B
SCHEMBL14217575 0.87 CNR1 (0.46) CYP3A4CNR1CNR2ADORA2AADORA2B
SCHEMBL5035182 0.85 CYP3A4 (0.39) CYP3A4TSHRTAAR1VNN1PDE7B
SCHEMBL14190193 0.85 CYP3A4 (0.39) CYP3A4TSHRTAAR1VNN1PDE7B
SCHEMBL5035178 0.85 CYP3A4 (0.39) CYP3A4TSHRTAAR1VNN1PDE7B
SCHEMBL5035011 0.83 CYP3A4 (0.41) CYP3A4CNR1CNR2MEN1RAB9A
SCHEMBL5035027 0.81 HTR2C (0.48) CYP3A4CNR1CNR2TSHRMEN1

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-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 CYP3A4 693/4885CNR1 1/4885CNR2 2/4885

“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.