Sugi Predict

Sugi Predict / Compounds / SCHEMBL3095960

SCHEMBL3095960

SCHEMBL3095960

C[SiH](C)OC(c1cc(CN(CC2CC2)C(=O)OC(C)(C)C)ccc1Cl)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 8/20 0.35
▸ LPAR5 Q9H1C0 8/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ TAS2R14 Q9NYV8 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30

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
SCHEMBL3079712 0.87 HDAC3 (0.35) LPAR1LPAR5ALDH1A1MEN1KMT2A
SCHEMBL1750842 0.85 LPAR1 (0.35) LPAR1LPAR5HDAC3HDAC1HDAC2
SCHEMBL1752398 0.85 HTR2A (0.37) HDAC3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1751217 0.85 SSTR4 (0.32) HDAC3HDAC1HDAC2NCOR2
SCHEMBL3075613 0.83 HTR2C (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ASLC6A4
SCHEMBL3092565 0.78 S1PR1 (0.38) LPAR1LPAR5ALDH1A1TAS2R14SMN1; SMN2
SCHEMBL3092581 0.77 LPAR1 (0.37) LPAR1LPAR5ALDH1A1TAS2R14SMN1; SMN2
SCHEMBL3095967 0.74 LPAR1 (0.35) LPAR1LPAR5ALDH1A1TAS2R14SMN1; SMN2
SCHEMBL3080082 0.74 ALDH1A1 (0.37) LPAR1LPAR5ALDH1A1TAS2R14SMN1; SMN2
SCHEMBL3095965 0.72 LPAR1 (0.34) LPAR1LPAR5ALDH1A1TAS2R14SMN1; SMN2

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 5 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
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 — — EP disclosed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 — — WO 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 LPAR1 2537/4885LPAR5 1488/4885ALDH1A1 387/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 LPAR1 2344/4885LPAR5 1174/4885ALDH1A1 313/4885

“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.