SCHEMBL5282653

SCHEMBL5282653

COc1cccc(CN(C(=O)C2CNCC=C2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.43
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
CYP3A4 P08684 3/20 0.40
KCNH2 Q12809 2/20 0.40

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 SCHEMBL5283072 0.97 REN (0.41) RENCTSDCTSECYP3A4KCNH2
SCHEMBL5276126 0.91 REN (0.43) RENCTSDCTSECYP3A4
SCHEMBL5277427 0.91 REN (0.43) RENCTSDCTSECYP3A4KCNH2
SCHEMBL5274837 0.89 REN (0.41) RENCTSDCTSECYP3A4
Formic Acid SCHEMBL5676917 0.89 REN (0.41) RENCTSDCTSECYP3A4
Formic Acid SCHEMBL5892343 0.89 REN (0.41) RENCTSDCTSECYP3A4KCNH2
SCHEMBL5277956 0.86 REN (0.46) RENCTSDCTSECYP3A4KCNH2
SCHEMBL5284019 0.86 REN (0.49) RENCTSDCTSECYP3A4
SCHEMBL5273284 0.85 REN (0.48) RENCTSDCTSECYP3A4
SCHEMBL5275992 0.85 REN (0.48) RENCTSDCTSECYP3A4

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
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-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 1/4885CTSD 221/4885CTSE 1095/4885

“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.