SCHEMBL106858

SCHEMBL106858

CCCc1cc(N2CCN(CCO)CC2)ncc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.40
GAA P10253 1/20 0.39
WNT3A P56704 1/20 0.38
KDM4E B2RXH2 3/20 0.38
USP2 O75604 2/20 0.38
MAPK1 P28482 1/20 0.38
LRRK2 Q5S007 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD4 P21917 2/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 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
SCHEMBL102529 0.87 PARP1 (0.40) PDE4BGAAWNT3AKDM4ELRRK2
SCHEMBL104584 0.76 UGT8 (0.39) HRH3DRD2
SCHEMBL103673 0.73 GAA (0.36) GAAWNT3AMAPK1LRRK2ALDH1A1
SCHEMBL106859 0.69 KDM4E (0.41) GAAKDM4EALDH1A1HRH3LMNA
SCHEMBL13686281 0.69 KMT2A (0.50) KDM4EUSP2MAPK1KMT2ANPC1
SCHEMBL4818519 0.68 HRH3 (0.50) HRH3
SCHEMBL3710050 0.68 LMNA (0.43) KDM4EUSP2KMT2AALDH1A1MEN1
SCHEMBL13472362 0.68 LRRK2 (0.44) KDM4ELRRK2KMT2ANPC1RAB9A
SCHEMBL30837358 0.67 SIRT6 (0.50) GAAKDM4EMAPK1KMT2AALDH1A1
SCHEMBL29181041 0.67 SIRT6 (0.50) GAAKDM4EMAPK1KMT2AALDH1A1

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 PDE4B 4408/4885GAA 2147/4885WNT3A 1527/4885

“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.