SCHEMBL14848461

SCHEMBL14848461

CC(C)(C)c1ccc(-c2cncc(F)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
CYP11B2 P19099 8/20 0.41
CYP11B1 P15538 6/20 0.41
ALOX5AP P20292 1/20 0.39
KIF11 P52732 2/20 0.37
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
BRS3 P32247 1/20 0.34
KCNH2 Q12809 1/20 0.34
DGAT1 O75907 1/20 0.33
HPGDS O60760 1/20 0.33
MET P08581 2/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL14848470 0.82 CYP11B2 (0.42) CYP11B2CYP11B1ALOX5APKIF11DGAT1
SCHEMBL11989272 0.81 HPGDS (0.52) PIM1CYP11B1DGAT1HPGDS
SCHEMBL26023926 0.80 NPC1 (0.49) PIM1CYP11B2CYP11B1ALOX5APKIF11
SCHEMBL26448918 0.79 GPR55 (0.40) CYP11B2CYP11B1ALOX5APBRS3KCNH2
SCHEMBL14848469 0.78 CYP11B1 (0.46) CYP11B2CYP11B1ALOX5APTDO2
SCHEMBL14850469 0.78 CYP3A4 (0.54) PIM1CYP11B2CYP11B1PARP10PARP11
SCHEMBL25992765 0.76 GPR55 (0.43) CYP11B2CYP11B1ALOX5APBRS3KCNH2
SCHEMBL12173603 0.75 KIF11 (0.48) KIF11DGAT1TDO2
SCHEMBL16826203 0.75 CYP11B1 (0.44) PIM1CYP11B2CYP11B1ALOX5APPARP10
SCHEMBL45857 0.74 CCR1 (0.46) ALOX5APKIF11DGAT1TDO2

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 PIM1 3083/4885CYP11B2 1670/4885CYP11B1 1408/4885

“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.