SCHEMBL1073181

SCHEMBL1073181

COCCCc1cc(Br)cc(CNC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MITF O75030 1/20 0.38
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
KCNH2 Q12809 2/20 0.36
REN P00797 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
CNR1 P21554 3/20 0.35
GBA1 P04062 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TBXA2R P21731 1/20 0.35
HRH2 P25021 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
SCHEMBL1518539 0.93 ALDH1A1 (0.49) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL1518688 0.87 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL1073010 0.86 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL1071788 0.86 CNR1 (0.48) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL1074356 0.86 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL1536187 0.83 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL1229421 0.83 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL1072555 0.82 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL1072102 0.81 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL663312 0.81 ALDH1A1 (0.54) ALDH1A1TSHRPOLBCARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
CN-102015682-A 3, 4-substituted piperidine derivatives as renin inhibitors MERCK FROSST CANADA LTD 2011-04-13 CN disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
EP-2274295-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-01-19 EP disclosed
WO-2009140769-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-26 WO disclosed
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 WO disclosed
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 ALDH1A1 512/4885TSHR 4311/4885KDM4E 631/4885
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, AGTR1 ALDH1A1 397/4885TSHR 4518/4885KDM4E 1515/4885

“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.