SCHEMBL106732

SCHEMBL106732

COC(=O)c1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
PRMT1 Q99873 1/20 0.58
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 5/20 0.57
HPGD P15428 4/20 0.57
MAPT P10636 3/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 3/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
NR4A1 P22736 1/20 0.44
LNPEP Q9UIQ6 2/20 0.44
ERAP2 Q6P179 1/20 0.44
CFTR P13569 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL106733 1.00 NPC1 (0.62) NPC1PRMT1ALDH1A1KDM4EHPGD
SCHEMBL104532 0.88 NPC1 (0.46) NPC1PRMT1ALDH1A1KDM4EHPGD
SCHEMBL104531 0.88 NPC1 (0.46) NPC1PRMT1ALDH1A1KDM4EHPGD
SCHEMBL104180 0.85 NPC1 (0.43) NPC1PRMT1ALDH1A1KDM4EHPGD
SCHEMBL104179 0.85 NPC1 (0.43) NPC1PRMT1ALDH1A1KDM4EHPGD
SCHEMBL104178 0.85 NPC1 (0.43) NPC1PRMT1ALDH1A1KDM4EHPGD
SCHEMBL103094 0.84 MAPT (0.59) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL103095 0.84 MAPT (0.59) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL103346 0.75 GSK3B (0.40) PRMT1ALDH1A1KDM4EHPGDMAPT
SCHEMBL103345 0.75 GSK3B (0.40) PRMT1ALDH1A1KDM4EHPGDMAPT

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 163/4885PRMT1 1793/4885ALDH1A1 4311/4885

“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.