SCHEMBL90493

SCHEMBL90493

COCCCOc1cc(C(=O)NC2CC2)ccc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.50
HPGDS O60760 1/20 0.46
CNR2 P34972 1/20 0.45
NR1H4 Q96RI1 2/20 0.44
EPHX2 P34913 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
MAPK14 Q16539 1/20 0.43
BRD4 O60885 1/20 0.42
EZH2 Q15910 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42

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
SCHEMBL89015 0.84 CNR2 (0.55) CNR2HPGDRAB9AMAPK14ALDH1A1
SCHEMBL90498 0.84 CNR2 (0.61) CNR2MAPK14
SCHEMBL56661 0.83 NR1H4 (0.53) NR1H4EPHX2LMNAHTT
SCHEMBL2087745 0.83 LRRK2 (0.49) CNR2SMN1; SMN2HPGDRAB9AMAPK14
SCHEMBL3434221 0.82 NR1H4 (0.46) NR1H4EPHX2SMN1; SMN2LMNAMAPK1
SCHEMBL22280231 0.76 LRRK2 (0.55) HTR7NR1H4EPHX2ALDH1A1
SCHEMBL89036 0.76 HTT (0.41) NR1H4EPHX2SMN1; SMN2LMNAMAPK1
SCHEMBL17688910 0.75 MAPK14 (0.51) HPGDSCNR2PTGS1PTGS2SMN1; SMN2
SCHEMBL31206115 0.75 DRD2 (0.38) HTR7ALDH1A1
SCHEMBL8238436 0.73 MAPK14 (0.52) CNR2MAPK14SMYD3GAA

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 6 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
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 (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 HTR7 1520/4885HPGDS 393/4885CNR2 1820/4885

“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.