SCHEMBL88826

SCHEMBL88826

CCc1cc2c(c(OCCOC)c1)CCCO2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.41
SLC6A4 P31645 14/20 0.41
PARP1 P09874 2/20 0.35
PTGS2 P35354 1/20 0.33
REN P00797 2/20 0.32
CYP2D6 P10635 1/20 0.32
CXCR3 P49682 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
SCHEMBL88824 0.93 REN (0.37) HTR1ASLC6A4PARP1PTGS2REN
SCHEMBL10283463 0.88 SLC6A4 (0.41) HTR1ASLC6A4PARP1RENCYP2D6
SCHEMBL89476 0.88 SLC6A4 (0.43) HTR1ASLC6A4PARP1CYP2D6CXCR3
SCHEMBL89321 0.88 HTR1A (0.41) HTR1ASLC6A4PARP1RENCYP2D6
SCHEMBL31544850 0.88 MAOB (0.33) HTR1ASLC6A4CXCR3
SCHEMBL89104 0.85 REN (0.42) HTR1ASLC6A4PTGS2RENCXCR3
SCHEMBL31545418 0.83 ALDH1A1 (0.42) HTR1ASLC6A4PARP1REN
SCHEMBL89741 0.82 ALDH1A1 (0.41) HTR1ASLC6A4PARP1CYP2D6
SCHEMBL89264 0.82 REN (0.38) HTR1ASLC6A4PARP1RENCXCR3
SCHEMBL8235663 0.82 REN (0.36) HTR1ASLC6A4PARP1RENCXCR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HTR1A 652/4885SLC6A4 895/4885PARP1 2711/4885

“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.