SCHEMBL2817474

SCHEMBL2817474

COc1ccc2c(c1)C(O)C(C)(C)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55
ADRB2 P07550 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
SLC6A2 P23975 1/20 0.55
HRH1 P35367 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55
HTR5A P47898 1/20 0.55
SLC6A3 Q01959 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
HTR2A P28223 1/20 0.47
CYP19A1 P11511 4/20 0.44
MTNR1A P48039 4/20 0.43
CYP11B1 P15538 1/20 0.42
CHRNA7 P36544 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL16060306 0.88 LMNA (0.50) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL28415469 0.84 HTR2C (0.43) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL15728017 0.83 ADRA2A (0.56) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL13004979 0.79 SIGMAR1 (0.47) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL2819328 0.77 HTR2C (0.48) HTR2CHTR2BADRB2HTR1AADRA2A
Hydrochloric Acid SCHEMBL7943780 0.75 SIGMAR1 (0.61) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL29448050 0.74 LMNA (0.43) HTR2CHTR2ACHRNA7LMNAHSD17B10
SCHEMBL28740986 0.74 LMNA (0.43) HTR2CHTR2ACHRNA7LMNAHSD17B10
SCHEMBL15728018 0.74 SIGMAR1 (0.53) HTR2CHTR2BADRB2HTR1AADRA2A
SCHEMBL326892 0.73 MTNR1A (0.54) HTR2CHTR2BSIGMAR1HTR2ACYP19A1

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.