SCHEMBL104068

SCHEMBL104068

COC(=O)c1ccc(N2CCN(CCOCc3ccccc3)CC2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.50
DRD4 P21917 12/20 0.50
DRD3 P35462 12/20 0.50
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.47
HTR7 P34969 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
PRMT1 Q99873 1/20 0.45
TEAD3 Q99594 1/20 0.44

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
SCHEMBL102932 0.84 DRD2 (0.47) DRD2DRD4DRD3MEN1GAA
SCHEMBL102930 0.84 DRD2 (0.47) DRD2DRD4DRD3MEN1GAA
SCHEMBL102879 0.81 SMN1; SMN2 (0.48) NPC1HTR7KDM4EALDH1A1CYP1A2
SCHEMBL4282794 0.77 RXFP1 (0.60) GAAKMT2ANPC1KDM4EALDH1A1
SCHEMBL103640 0.75 MEN1 (0.47) DRD2DRD4DRD3MEN1GAA
SCHEMBL103639 0.75 MEN1 (0.47) DRD2DRD4DRD3MEN1GAA
SCHEMBL24826121 0.75 SMN1; SMN2 (0.68) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL18152277 0.74 LMNA (0.51) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL195098 0.73 SMN1; SMN2 (0.70) MEN1GAAKMT2ANPC1KDM4E
SCHEMBL29805510 0.73 SMN1; SMN2 (0.70) MEN1GAAKMT2ANPC1KDM4E

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 DRD2 977/4885DRD4 1709/4885DRD3 561/4885

“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.