SCHEMBL696258

SCHEMBL696258

COc1cccc(CNC2CC2)c1OC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.68
ACHE P22303 2/20 0.68
BACE1 P56817 2/20 0.68
KDM4E B2RXH2 7/20 0.59
POLB P06746 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 8/20 0.51
GAA P10253 4/20 0.51
MAPK1 P28482 3/20 0.51
TSHR P16473 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL695065 0.85 MEN1 (0.68) BCHEACHEBACE1POLBMEN1
SCHEMBL6110591 0.84 BCHE (0.51) BCHEACHEBACE1KDM4EPOLB
SCHEMBL695671 0.84 MEN1 (0.52) BCHEACHEBACE1KDM4EPOLB
SCHEMBL736332 0.83 MEN1 (0.54) BCHEACHEBACE1KDM4EPOLB
SCHEMBL7000552 0.79 KDM4E (0.69) BCHEKDM4EPOLBMEN1KMT2A
SCHEMBL735991 0.78 KDM1A (0.61) BCHEACHEBACE1KDM4EPOLB
SCHEMBL680393 0.78 ALDH1A1 (0.58) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL29875218 0.78 ALDH1A1 (0.58) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL27091860 0.77 MEN1 (0.65) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL18901363 0.76 ALDH1A1 (0.56) BCHEKDM4EPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013084241-A1 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2013-06-13 WO disclosed
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO disclosed
CN-1780833-A Tropane derivatives and their use as ace inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2006-05-31 CN 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 (1 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 BCHE 1870/4885ACHE 1313/4885BACE1 147/4885

“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.