SCHEMBL2819925

SCHEMBL2819925

CC(=O)OC1c2ccccc2CCC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PIN1 Q13526 1/20 0.36
CCR6 P51684 1/20 0.36
PDPK1 O15530 1/20 0.36
ACP3 P15309 1/20 0.36
CHRM4 P08173 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
TSHR P16473 2/20 0.35
KMT2A Q03164 1/20 0.35
ACE P12821 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2194689 0.86 PIN1 (0.36) POLBPIN1CCR6PDPK1ACP3
SCHEMBL19771572 0.85 LMNA (0.36) PIN1CCR6PDPK1ACP3TSHR
SCHEMBL16974322 0.84 POLB (0.49) POLBTSHRKMT2AALDH1A1HPGD
SCHEMBL12416517 0.80 RIPK1 (0.36) CCR6TSHRLMNAALDH1A1HPGD
SCHEMBL2819328 0.79 HTR2C (0.48) SMN1; SMN2
SCHEMBL9610373 0.78 TAS1R3 (0.36) PIN1KMT2AALDH1A1
SCHEMBL19771506 0.77 MAPK1 (0.39) TSHRKMT2ALMNAALDH1A1HPGD
SCHEMBL9610389 0.77 ALDH1A1 (0.36) PIN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL20306509 0.76 MAPK1 (0.39) TSHRLMNAALDH1A1
SCHEMBL20306528 0.75 ALDH1A1 (0.33) PDPK1DRD2LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 POLB 552/4885PIN1 960/4885CCR6 2955/4885

“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.