SCHEMBL90611

SCHEMBL90611

COCCCOc1cc(NC2CC2)c(F)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.39
KCNH2 Q12809 2/20 0.39
ACACB O00763 1/20 0.34
HTR1A P08908 6/20 0.33
HTR7 P34969 6/20 0.33
DRD2 P14416 4/20 0.33
HTR6 P50406 4/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
SCN9A Q15858 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 2/20 0.32
P2RX3 P56373 1/20 0.31

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
SCHEMBL89869 0.83 BRD4 (0.33) ACACBCYP2C9KMT2AKDM4EALDH1A1
SCHEMBL90276 0.81 CNR2 (0.35) RENKCNH2ACACBSCN9AMEN1
SCHEMBL89338 0.78 REN (0.38) REN
SCHEMBL12055548 0.76 IRAK4 (0.36) KMT2AL3MBTL1HTR2AALDH1A1
SCHEMBL90718 0.75 POLB (0.37) RENKCNH2MEN1CYP1A2CYP3A4
SCHEMBL17013215 0.71 KDM4E (0.37) RENHTR1AMEN1CYP1A2CYP3A4
SCHEMBL90719 0.70 PTGES (0.40) RENKCNH2MEN1CYP3A4RECQL
SCHEMBL12525841 0.68 DUT (0.40) RENACACBL3MBTL1
SCHEMBL25041980 0.67 BTK (0.37) HTR1AHTR7HSP90AA1HSP90B1KDM4E
SCHEMBL12526703 0.67 REN (0.47) RENACACBL3MBTL1

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 REN 1/4885KCNH2 415/4885ACACB 2221/4885

“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.