SCHEMBL4467776

SCHEMBL4467776

CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(N3CCOCC3=O)c(Cl)c2)CCCCC1N

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.46
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
P2RX4 Q99571 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
NPY2R P49146 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
SCHEMBL4005477 0.87 F10 (0.48) F10ALDH1A1HPGDTSHRP2RX4
SCHEMBL4467772 0.80 F10 (0.50) F10ALDH1A1HPGDTSHRCNR1
SCHEMBL4006074 0.78 F10 (0.47) F10
SCHEMBL4463890 0.77 F10 (0.50) F10ALDH1A1HPGDTSHRCNR1
SCHEMBL4005473 0.77 F10 (0.49) F10ALDH1A1HPGDTSHR
SCHEMBL4478020 0.76 F10 (0.46) F10
SCHEMBL4476981 0.74 F10 (0.67) F10TSHR
SCHEMBL4462795 0.72 F10 (0.51) F10ALDH1A1HPGDTSHR
SCHEMBL5541908 0.72 F10 (0.49) F10ALDH1A1HPGDTSHR
SCHEMBL4461019 0.71 F10 (0.40) F10CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 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-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC F10 2132/4885ALDH1A1 910/4885HPGD 4810/4885

“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.