SCHEMBL104178

SCHEMBL104178

C/C=C\c1cc(C(=O)OC)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
CNR2 P34972 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PRMT1 Q99873 1/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.40
OPRM1 P35372 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A9 P48067 1/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39

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
SCHEMBL104180 1.00 NPC1 (0.43) NPC1CNR2KMT2AMEN1MAPT
SCHEMBL104179 1.00 NPC1 (0.43) NPC1CNR2KMT2AMEN1MAPT
SCHEMBL103345 0.91 GSK3B (0.40) MAPTHPGDPRMT1ALDH1A1SMN1; SMN2
SCHEMBL103346 0.91 GSK3B (0.40) MAPTHPGDPRMT1ALDH1A1SMN1; SMN2
SCHEMBL103212 0.88 PRMT1 (0.38) MAPTPRMT1HTR1ADRD2HTR7
SCHEMBL103213 0.88 PRMT1 (0.38) MAPTPRMT1HTR1ADRD2HTR7
SCHEMBL103214 0.88 PRMT1 (0.38) MAPTPRMT1HTR1ADRD2HTR7
SCHEMBL106732 0.85 NPC1 (0.62) NPC1CNR2KMT2AMEN1MAPT
SCHEMBL104531 0.85 NPC1 (0.46) NPC1CNR2KMT2AMEN1MAPT
SCHEMBL106733 0.85 NPC1 (0.62) NPC1CNR2KMT2AMEN1MAPT

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
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 NPC1 163/4885CNR2 15/4885KMT2A 2327/4885

“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.