SCHEMBL89233

SCHEMBL89233

COCCCOc1cc(CNC2CC2)cc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
TSHR P16473 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.59
CNR1 P21554 5/20 0.45
CNR2 P34972 4/20 0.45
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL89360 0.97 ALDH1A1 (0.66) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL89675 0.93 ALDH1A1 (0.68) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL662852 0.88 ALDH1A1 (0.59) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL89319 0.87 ALDH1A1 (0.49) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL57079 0.86 ALDH1A1 (0.86) ALDH1A1TSHRL3MBTL1KDM4EPOLB
SCHEMBL8265518 0.86 CNR1 (0.55) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL8265089 0.86 ALDH1A1 (0.48) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL1073010 0.86 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL10185688 0.85 ALDH1A1 (0.48) ALDH1A1TSHRL3MBTL1CNR1CNR2
SCHEMBL89739 0.84 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1CNR1CNR2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
EP-1888569-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2008-02-20 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2006094763-A1 3,4,5-SUBSTITUTED PIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2006-09-14 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 ALDH1A1 13/4885TSHR 2291/4885L3MBTL1 3415/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC ALDH1A1 21/4885TSHR 2757/4885L3MBTL1 4255/4885

“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.