SCHEMBL10189371

SCHEMBL10189371

CC(C)(C)c1nnn(CC#N)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.40
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GHSR Q92847 1/20 0.33
KMT2A Q03164 1/20 0.30

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
SCHEMBL5754487 0.69
SCHEMBL20223372 0.69
SCHEMBL14602900 0.68 GUCY1B2 (0.34) CNR2
SCHEMBL4405551 0.63 CNR1 (0.31) CNR2
SCHEMBL10189375 0.61 GHSR (0.33) LMNAGHSRKMT2A
SCHEMBL13757022 0.61 MAPT (0.51) MAPTNPSR1CNR2LMNATP53
SCHEMBL4407794 0.61 SMN1; SMN2 (0.39) LMNATP53NPC1RAB9A
SCHEMBL18016459 0.60 HRH4 (0.42)
SCHEMBL19221412 0.59 LMNA (0.57) LMNAGHSRKMT2A
SCHEMBL13665882 0.59 MAOB (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097594-B2 Macrolides and ketolides having antimicrobial activity WOCKHARDT LTD. (IN) 2012-01-17 US disclosed
US-20100152185-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE CHU LIN 2010-06-17 US disclosed
US-7629467-B2 5-lipoxygenase activating protein inhibitors; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity SINDKHEDKAR MILIND DATTATRAYA 2009-10-01 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 (2 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-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity CYP51A1, CASP12, LSS MAPT 3708/4885NPSR1 4361/4885CNR2 4517/4885
US-20100152185-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE ALOX5, LTC4S, ALOX15 MAPT 4768/4885NPSR1 1303/4885CNR2 327/4885

“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.