SCHEMBL3089004

SCHEMBL3089004

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
RAF1 P04049 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CES2 O00748 1/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.35
ESRRB O95718 1/20 0.35
ESRRG P62508 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35

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
SCHEMBL27756370 0.91 KDM4E (0.44) RAF1TRPV1ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL3075600 0.84 HTR1A (0.41) TSHRALDH1A1SMN1; SMN2
SCHEMBL3085740 0.82 HTR1A (0.43) KMT2A
SCHEMBL1751378 0.82 KDM4E (0.33) TRPV1GAAALDH1A1
SCHEMBL1751531 0.81 TSHR (0.43) TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL1751165 0.80 SIGMAR1 (0.35) TSHRGAAALDH1A1KMT2A
SCHEMBL1752271 0.80 TSHR (0.41) TSHRTRPV1SMN1; SMN2
SCHEMBL1751077 0.79 TAAR1 (0.45) TSHRGAAALDH1A1GLAKMT2A
SCHEMBL27735748 0.76 CSNK2A1 (0.40)
SCHEMBL1751291 0.76

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 3578/4885RAF1 1091/4885TRPV1 310/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 TSHR 3666/4885RAF1 1315/4885TRPV1 349/4885

“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.