SCHEMBL2819328

SCHEMBL2819328

COc1ccc2c(c1)C(OC(C)=O)C(C)(C)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
ADRB2 P07550 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH1 P35367 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR5A P47898 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MTNR1A P48039 9/20 0.46
ESR1 P03372 1/20 0.45
MTNR1B P49286 9/20 0.44
NQO2 P16083 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2A P28223 1/20 0.41
POLA1 P09884 2/20 0.40

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
SCHEMBL2819925 0.79 POLB (0.46) SMN1; SMN2
SCHEMBL2817474 0.77 HTR2C (0.55) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL15728017 0.76 ADRA2A (0.56) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL2818743 0.75 CYP1A1 (0.44) HTR2CMTNR1AESR1MTNR1BSMN1; SMN2
SCHEMBL9175698 0.75 MTNR1A (0.53) MTNR1AMTNR1BNQO2
SCHEMBL7953980 0.73 MTNR1A (0.65) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL18241632 0.73 MTNR1A (0.38) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL29121354 0.73 GRM2 (0.44) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL29121187 0.72 CYP3A4 (0.41) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL29228188 0.72 CYP3A4 (0.41) HTR2CHTR2BADRB2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 HTR2C 3034/4885HTR2B 1115/4885ADRB2 207/4885

“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.