SCHEMBL89687

SCHEMBL89687

COCCCOc1cc(C(=O)NC2CC2)cc2c1CCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTR4 Q13639 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2C P18825 1/20 0.43
ACHE P22303 1/20 0.43
PTGS1 P23219 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
DRD2 P14416 4/20 0.41
HTR2A P28223 4/20 0.41
DRD3 P35462 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
HTR7 P34969 1/20 0.39
CNR2 P34972 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
SCHEMBL89688 0.83 REN (0.46) RENNPC1RAB9AHPGD
SCHEMBL90485 0.80 REN (0.44) RENNPC1RAB9AKMT2AMEN1
SCHEMBL90483 0.77 REN (0.42) RENHTR1AACHEKCNH2KMT2A
SCHEMBL18508678 0.77 REN (0.44) RENNPC1RAB9AHPGD
SCHEMBL90498 0.74 CNR2 (0.61) KMT2AMEN1MAPK14CNR2
SCHEMBL89015 0.74 CNR2 (0.55) NPC1RAB9AKMT2AMEN1MAPK14
SCHEMBL2810313 0.73 REN (0.43) RENHTR1AHTR2A
SCHEMBL90489 0.73 REN (0.39) RENNPC1RAB9AKMT2AMEN1
SCHEMBL2087745 0.73 LRRK2 (0.49) RAB9AACHEDRD2HTR2AKMT2A
SCHEMBL24750119 0.72 EGFR (0.39) RENNPC1RAB9AKMT2AMEN1

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
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-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

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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885NPC1 2676/4885RAB9A 500/4885

“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.