SCHEMBL102879

SCHEMBL102879

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 2/20 0.44
HTR7 P34969 1/20 0.43
BACE1 P56817 1/20 0.43
NOTUM Q6P988 1/20 0.43
TP53 P04637 1/20 0.43
WDR5 P61964 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
SCHEMBL4282794 0.85 RXFP1 (0.60) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL24826121 0.83 SMN1; SMN2 (0.68) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL195098 0.81 SMN1; SMN2 (0.70) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL29805510 0.81 SMN1; SMN2 (0.70) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL104068 0.81 DRD2 (0.50) KDM4ENPC1CYP1A2CYP2D6CYP2C9
SCHEMBL63447 0.79 MAPT (0.60) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL4256162 0.77 LMNA (0.54) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL31593035 0.74 WDR5 (0.53) SMN1; SMN2KDM4ERXFP1CYP2C9MAPT
SCHEMBL24495621 0.71 ALDH1A1 (0.53) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL30863572 0.70 WDR5 (0.56) SMN1; SMN2KDM4ENPC1RAB9ANPSR1

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 SMN1; SMN2 3303/4885KDM4E 3663/4885NPC1 163/4885

“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.