SCHEMBL3079706

SCHEMBL3079706

COCCCc1ccc(Cl)c(C(=O)NC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.46
P2RX7 Q99572 4/20 0.45
SMYD3 Q9H7B4 1/20 0.44
CRHR1 P34998 5/20 0.43
MCHR1 Q99705 1/20 0.43
PTGES O14684 1/20 0.42

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
SCHEMBL13538061 0.92 HPGD (0.51) HPGDSMN1; SMN2TSHRP2RX7SMYD3
SCHEMBL4703373 0.88 HPGD (0.40) HPGDSMN1; SMN2TSHRP2RX7SMYD3
SCHEMBL4703374 0.88 HPGD (0.40) HPGDSMN1; SMN2TSHRP2RX7SMYD3
SCHEMBL1072117 0.81 P2RX7 (0.43) HPGDSMN1; SMN2P2RX7
SCHEMBL15809160 0.80 MRGPRX4 (0.48) HPGDPTGES
SCHEMBL1518112 0.79 MEN1 (0.41) SMN1; SMN2
SCHEMBL1751522 0.78 HPGD (0.45) HPGDSMN1; SMN2P2RX7CRHR1
SCHEMBL1072919 0.77 DRD4 (0.49)
SCHEMBL1073261 0.77 CNR2 (0.40) SMN1; SMN2
SCHEMBL1070915 0.76 MEN1 (0.48) SMN1; SMN2SMYD3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP claimed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO claimed
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
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
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO 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 HPGD 429/4885SMN1; SMN2 4649/4885TSHR 3578/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 HPGD 494/4885SMN1; SMN2 4592/4885TSHR 3666/4885

“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.