SCHEMBL3085952

SCHEMBL3085952

CC(C)(C)[Si](C)(C)OCc1cc(CNCC(F)F)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.33
POLB P06746 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
REN P00797 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGES O14684 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3092953 0.85 HTR1A (0.42) TSHRHPGDMEN1LMNAKMT2A
SCHEMBL1751423 0.84 CYP1A2 (0.36) POLBRENCYP3A4TSHRHPGD
SCHEMBL662525 0.82 HTR2A (0.40) TSHRHPGDSMN1; SMN2BACE1HTR1A
SCHEMBL3088564 0.80 PRMT5 (0.46) CYP3A4HPGDMEN1KMT2ACYP2D6
SCHEMBL1751532 0.78 TSHR (0.45) POLBTSHRKDM4EALDH1A1HPGD
SCHEMBL1750278 0.78 TSHR (0.58) TSHRGAAALDH1A1HPGDMEN1
SCHEMBL1751326 0.77 KMT2A (0.42) POLBCYP3A4GAAKDM4EALDH1A1
SCHEMBL1751844 0.77 CSNK2A1 (0.38) BACE1
SCHEMBL661775 0.77 USP14 (0.35) POLBTSHRHPGDSMN1; SMN2BACE1
SCHEMBL91286 0.76 POLB (0.40) PLA2G1BPOLBATG4BRENCYP3A4

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 PLA2G1B 2188/4885POLB 2218/4885ATG4B 854/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 PLA2G1B 2123/4885POLB 1919/4885ATG4B 1139/4885

“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.