SCHEMBL90434

SCHEMBL90434

COCCCOc1cc(NC2CC2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.38
ARHGDIA P52565 1/20 0.38
ROCK1 Q13464 1/20 0.38
REN P00797 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.36
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
HPGD P15428 1/20 0.34
ADRB2 P07550 1/20 0.34

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
SCHEMBL13376334 0.86 ROCK2 (0.44) ROCK2ARHGDIAROCK1KDM4EALDH1A1
SCHEMBL8265559 0.86 ROCK2 (0.38) ROCK2ARHGDIAROCK1KDM4EALDH1A1
SCHEMBL89853 0.84 CYP2C9 (0.39) ALDH1A1LMNAHTTHPGD
SCHEMBL8236634 0.84 ALDH1A1 (0.34) KDM4EALDH1A1LMNAHTTBRD4
SCHEMBL89390 0.84 IRAK4 (0.38) KDM4EALDH1A1HPGD
SCHEMBL89959 0.81 ULK1 (0.44)
SCHEMBL89459 0.80 LMNA (0.40) KDM4EALDH1A1LMNAHTT
SCHEMBL2085628 0.78 MEN1 (0.43) KDM4EALDH1A1HTTTSHRADRB2
SCHEMBL25039605 0.77 HTT (0.39) KDM4EALDH1A1LMNAHTT
SCHEMBL8265618 0.77 L3MBTL1 (0.42) KDM4EALDH1A1LMNAHPGD

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 15 patents. 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-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-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (3 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ROCK2 2357/4885ARHGDIA 4033/4885ROCK1 1360/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC ROCK2 3861/4885ARHGDIA 4431/4885ROCK1 3185/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO ROCK2 3604/4885ARHGDIA 4201/4885ROCK1 2821/4885

“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.