SCHEMBL14799318

SCHEMBL14799318

CC(C)(C)CCC1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA4 P22748 5/20 0.37
CA6 P23280 4/20 0.37
PTGS1 P23219 6/20 0.36
PTGS2 P35354 6/20 0.36
KMT2A Q03164 2/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 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
SCHEMBL8050358 0.79 NPC1 (0.39) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL406518 0.79 NPC1 (0.39) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL2691566 0.77
SCHEMBL10439781 0.77 CA1 (0.46) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL13658018 0.76 NPC1 (0.36) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL6553616 0.74 NPC1 (0.38) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL6706718 0.74
SCHEMBL26460198 0.73 CA1 (0.45) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL1824692 0.73 NPC1 (0.45) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL28879026 0.73 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNAGAA

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
CN-102918028-B N-[(mixing) arylalkyl] pyrazoles (sulfo-) carboxylic acid amides and the assorted analogue replaced thereof BAYER CROPSCIENCE AG (DE) 2016-04-27 CN disclosed
US-8999956-B2 N-[(het)arylalkyl)] pyrazole(thio)carboxamides and their heterosubstituted analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 US disclosed
EP-2576517-B1 N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER IP GMBH (DE) 2014-12-17 EP disclosed
EP-2576517-A1 N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES Bayer Cropscience AG (DE) 2013-04-10 EP disclosed
US-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 US disclosed
CN-102918028-A N-[(het)arylalkyl)] pyrazole (thio)carboxamides and their heterosubstituted analogues BAYER CROPSCIENCE AG 2013-02-06 CN disclosed
WO-2011151370-A1 N-[(HET)ARYLALKYL)] PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER CROPSCIENCE AG (DE) 2011-12-08 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-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES HDHD5, CYP51A1, NOD1 NPC1 1076/4885RAB9A 3047/4885SMN1; SMN2 4675/4885

“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.