SCHEMBL14848469

SCHEMBL14848469

COc1cncc(-c2ccc(C(C)(C)C)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.46
CYP11B2 P19099 9/20 0.46
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
ALOX5AP P20292 2/20 0.45
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
FYN P06241 2/20 0.41
CYP2C19 P33261 1/20 0.40
TDO2 P48775 1/20 0.39
CYP17A1 P05093 1/20 0.39
XDH P47989 1/20 0.38
KDM1A O60341 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1623766 0.81 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL9910804 0.81 RXFP1 (0.54) CYP11B1TDO2NPC1RAB9A
SCHEMBL14848470 0.80 CYP11B2 (0.42) CYP11B1CYP11B2CYP3A4ALOX5APTDO2
SCHEMBL14850486 0.80 CYP3A4 (0.51) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL14848461 0.78 PIM1 (0.43) CYP11B1CYP11B2ALOX5APTDO2
SCHEMBL31403032 0.78 GRM5 (0.49) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL16835818 0.78 CYP11B1 (0.48) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL23905067 0.75 CYP11B1 (0.48) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL17752214 0.74 RXFP1 (0.50) CYP11B1TDO2NPC1RAB9A
SCHEMBL15394522 0.74 KIF11 (0.54) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815902-B2 Tetrahydroquinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-11 US 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-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 CYP11B1 1408/4885CYP11B2 1670/4885CYP1A2 519/4885

“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.