SCHEMBL694845

SCHEMBL694845

COc1c(CNC2CC2)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.45
ACHE P22303 3/20 0.45
BACE1 P56817 3/20 0.45
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
KDM1A O60341 2/20 0.40
MAOA P21397 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13796567 0.81 MCHR1 (0.61) BCHEACHE
SCHEMBL9365555 0.78 SLC2A1 (0.45) KMT2ALMNAMEN1PRMT5WDR77
SCHEMBL13263140 0.77 KDM1A (0.64) KMT2AHTTMEN1POLBKDM1A
SCHEMBL2730868 0.76 ACHE (0.49) ACHEKMT2ALMNAHTT
SCHEMBL8814573 0.76 ALDH1A1 (0.48) POLBPRMT5WDR77ALDH1A1KDM4E
SCHEMBL9749199 0.75 HPGD (0.42) BCHEHTTPRMT5WDR77ALDH1A1
SCHEMBL9749260 0.74 KDM4E (0.43) PRMT5WDR77ALDH1A1L3MBTL1KDM4E
SCHEMBL5963023 0.74 ALDH1A1 (0.46) LMNAPOLBPRMT5WDR77ALDH1A1
SCHEMBL30490817 0.74 KDM4E (0.46) LMNAPOLBALDH1A1KDM4E
SCHEMBL14064624 0.74 KDM4E (0.46) LMNAPOLBALDH1A1KDM4E

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-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

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.