SCHEMBL3089007

SCHEMBL3089007

COC(=O)NCCc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ESRRB O95718 1/20 0.39
ESRRG P62508 1/20 0.39
RAF1 P04049 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
GLA P06280 1/20 0.37
CNR1 P21554 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL1750508 0.91 KDM4E (0.46) ESRRBESRRGRAF1TRPV1ALDH1A1
SCHEMBL1750278 0.88 TSHR (0.58) TSHRGAAKMT2AMEN1ALDH1A1
SCHEMBL3074349 0.85 REN (0.40) ESRRBESRRGRAF1TRPV1CA1
SCHEMBL3075604 0.85 HTR1A (0.41) TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL3085746 0.83 HTR1A (0.44) BACE1
SCHEMBL1751379 0.82 FFAR1 (0.34) TSHRTRPV1GAACA2KMT2A
SCHEMBL1751532 0.81 TSHR (0.45) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL1751171 0.80 KDM4E (0.39) TSHRESRRBESRRGGAAKMT2A
SCHEMBL662526 0.80 TAAR1 (0.46) TSHRLMNAGLASMN1; SMN2BACE1
SCHEMBL661775 0.79 USP14 (0.35) TSHRSMN1; SMN2BACE1

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 TSHR 3578/4885ESRRB 4056/4885ESRRG 3381/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 TSHR 3666/4885ESRRB 4017/4885ESRRG 3470/4885

“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.