SCHEMBL5275992

SCHEMBL5275992

Cc1cccc(CN(C(=O)C2CNCC=C2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.48
CYP3A4 P08684 2/20 0.45
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44

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
Formic Acid SCHEMBL5675451 0.97 REN (0.46) RENCYP3A4CTSDCTSE
SCHEMBL5273284 0.90 REN (0.48) RENCYP3A4CTSDCTSE
SCHEMBL5276771 0.89 REN (0.47) RENCYP3A4CTSDCTSE
SCHEMBL5284019 0.88 REN (0.49) RENCYP3A4CTSDCTSE
SCHEMBL5276126 0.88 REN (0.43) RENCYP3A4CTSDCTSE
SCHEMBL5277427 0.86 REN (0.43) RENCYP3A4CTSDCTSE
Formic Acid SCHEMBL5276662 0.86 REN (0.47) RENCYP3A4CTSDCTSE
SCHEMBL5277956 0.85 REN (0.46) RENCYP3A4CTSDCTSE
Formic Acid SCHEMBL5676917 0.85 REN (0.41) RENCYP3A4CTSDCTSE
SCHEMBL5282653 0.85 REN (0.43) RENCYP3A4CTSDCTSE

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
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP claimed
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-10-19 US claimed
EP-1620403-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP claimed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO claimed
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP disclosed
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-10-19 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-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives REN, ACE, ACE2 REN 1/4885CYP3A4 53/4885CTSD 221/4885

“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.