SCHEMBL1750280

SCHEMBL1750280

COC(=O)NCc1ccc(Cl)c(C(C)(C)O[SiH2]C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39
P2RX7 Q99572 6/20 0.39
APEX1 P27695 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL1751533 0.90 TSHR (0.45) TSHRSMN1; SMN2HPGDLMNAP2RX7
SCHEMBL1752274 0.88 TSHR (0.43) TSHRSMN1; SMN2HPGDP2RX7
SCHEMBL3089010 0.88 TSHR (0.43) TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL1751211 0.85 EPHX2 (0.48) TSHRSMN1; SMN2HPGDP2RX7ALDH1A1
SCHEMBL1751254 0.85 P2RX7 (0.44) TSHRSMN1; SMN2HPGDLMNAP2RX7
SCHEMBL3093509 0.83 HTR7 (0.41) TSHRSMN1; SMN2P2RX7
SCHEMBL3092964 0.81 HTR1A (0.43) TSHRSMN1; SMN2
SCHEMBL1750509 0.81 KDM4E (0.46) SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL3088565 0.78 PRMT5 (0.47) P2RX7
SCHEMBL1751380 0.78 TRPV1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
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-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 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 (3 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 3578/4885SMN1; SMN2 4649/4885HPGD 429/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 TSHR 3666/4885SMN1; SMN2 4592/4885HPGD 494/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 TSHR 1994/4885SMN1; SMN2 4441/4885HPGD 550/4885

“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.