SCHEMBL3081058

SCHEMBL3081058

COc1cccc(CN(C(=O)C2CN(C(=O)OC(C)(C)C)CCC2c2ccc(CCCO[Si](C)(C)C(C)(C)C)cc2)C2CC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.39
CYP3A4 P08684 2/20 0.39
TACR1 P25103 2/20 0.38
KCNH2 Q12809 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
PDE4B Q07343 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL3088604 0.93 REN (0.40) RENCYP3A4TACR1KCNH2
SCHEMBL3096286 0.90 TACR1 (0.40) RENCYP3A4TACR1KCNH2NR1H4
SCHEMBL3092613 0.82 REN (0.41) RENCYP3A4
SCHEMBL3089000 0.82 REN (0.42) RENCYP3A4TACR1KCNH2USP30
SCHEMBL8264209 0.80 TACR1 (0.45) RENTACR1PDE4BUSP30
SCHEMBL10184737 0.77 USP30 (0.43) TACR1KCNH2PDE4BUSP30
SCHEMBL6112532 0.75 REN (0.44) RENCYP3A4
SCHEMBL6112536 0.75 REN (0.44) RENCYP3A4
SCHEMBL6112541 0.75 REN (0.44) RENCYP3A4
SCHEMBL3084240 0.75 REN (0.35) RENCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 US disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 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 (2 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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 REN 1/4885CYP3A4 709/4885TACR1 142/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 REN 1/4885CYP3A4 676/4885TACR1 53/4885

“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.