SCHEMBL1662786

SCHEMBL1662786

O=Cc1cccc(OCCN2CCCC2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PDK2 Q15119 5/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
EGFR P00533 2/20 0.45
ITK Q08881 2/20 0.45
MAOA P21397 5/20 0.45
MAOB P27338 5/20 0.45
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL15075237 0.82 POLB (0.69) POLBMEN1KMT2APDK2NPC1
SCHEMBL13096997 0.82 POLB (0.73) POLBMEN1KMT2APDK2NPC1
SCHEMBL2227579 0.82 POLB (0.69) POLBMEN1KMT2APDK2NPC1
SCHEMBL5779184 0.81 MAOA (0.49) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL23640346 0.81 POLB (0.71) POLBMEN1KMT2APDK2NPC1
SCHEMBL13106477 0.81 POLB (0.67) POLBMEN1KMT2APDK2NPC1
SCHEMBL1283353 0.80 LTA4H (0.61) POLB
SCHEMBL29417804 0.80 LTA4H (0.61) POLB
SCHEMBL13185148 0.80 POLB (0.66) POLBMEN1KMT2APDK2NPC1
SCHEMBL2553749 0.80 PDK2 (0.49) POLBMEN1KMT2APDK2NPC1

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
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 POLB 4028/4885MEN1 1399/4885KMT2A 1197/4885
US-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN POLB 1242/4885MEN1 4236/4885KMT2A 3763/4885

“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.