SCHEMBL842905

SCHEMBL842905

CC1(C)C(=O)Nc2cccc(Cl)c2C1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.51
HTR5A P47898 5/20 0.44
HTR1A P08908 4/20 0.44
HTR2C P28335 4/20 0.44
HTR7 P34969 4/20 0.44
HTR1D P28221 3/20 0.44
HTR2A P28223 1/20 0.42
HTR3A P46098 1/20 0.42
HTR6 P50406 1/20 0.42
HRH1 P35367 1/20 0.42
PBRM1 Q86U86 4/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
CES1 P23141 1/20 0.38
TP53 P04637 1/20 0.37
AKR1B1 P15121 1/20 0.36
TGM2 P21980 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL842873 0.73 PDK2 (0.44) HTR5APDK2PDK4MEN1GAA
SCHEMBL24112229 0.70 HTR5A (0.51) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24112728 0.70 HTR5A (0.51) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24112426 0.70 PDK2 (0.53) CYP11B2HTR5AHTR1AHTR2CHTR7
SCHEMBL842752 0.69 CYP11B2 (1.00) CYP11B2HTR5AHTR1AHTR2CHTR7
SCHEMBL24740178 0.68 HTR5A (0.45) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL25805364 0.68 AKR1B1 (0.42) CYP11B2HTR5AHTR1AHTR2CHTR7
SCHEMBL24740263 0.68 AKR1B1 (0.42) CYP11B2HTR5AHTR1AHTR2CHTR7
SCHEMBL24019656 0.68 HTR5A (0.45) HTR5AHTR1AHTR2CHTR7HTR1D
SCHEMBL24029073 0.67 HTR5A (0.47) HTR5AHTR1AHTR2CHTR7HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 CYP11B2 3/4885HTR5A 1221/4885HTR1A 1607/4885

“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.