SCHEMBL89264

SCHEMBL89264

COCCCOc1cc(CO)cc2c1CCCO2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.38
HTR1A P08908 4/20 0.36
SLC6A4 P31645 4/20 0.36
EHMT2 Q96KQ7 1/20 0.33
PARP1 P09874 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHEK1 O14757 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.30
CXCR3 P49682 1/20 0.30

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
SCHEMBL89321 0.94 HTR1A (0.41) RENHTR1ASLC6A4PARP1
SCHEMBL2810313 0.92 REN (0.43) RENHTR1ASLC6A4PKMCXCR3
SCHEMBL88824 0.88 REN (0.37) RENHTR1ASLC6A4EHMT2PARP1
SCHEMBL8235663 0.87 REN (0.36) RENHTR1ASLC6A4EHMT2PARP1
SCHEMBL89790 0.87 HTR1A (0.38) RENHTR1ASLC6A4EHMT2CHEK1
SCHEMBL31545418 0.86 ALDH1A1 (0.42) RENHTR1ASLC6A4EHMT2PARP1
SCHEMBL88826 0.82 HTR1A (0.41) RENHTR1ASLC6A4PARP1CXCR3
SCHEMBL56099 0.81 ALDH1A1 (0.41) RENHTR1ASLC6A4PARP1KDM4E
SCHEMBL10283463 0.81 SLC6A4 (0.41) RENHTR1ASLC6A4PARP1CXCR3
SCHEMBL89476 0.81 SLC6A4 (0.43) HTR1ASLC6A4PARP1CXCR3

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 1/4885HTR1A 652/4885SLC6A4 895/4885

“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.