SCHEMBL6203237

SCHEMBL6203237

O=C(O)c1c(CNC2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.53
BACE1 P56817 6/20 0.53
BCHE P06276 4/20 0.53
DRD4 P21917 4/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
NTSR1 P30989 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TACR3 P29371 6/20 0.51
KCNH2 Q12809 1/20 0.51
TACR2 P21452 5/20 0.49
OPRM1 P35372 4/20 0.49
SIGMAR1 Q99720 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL27563378 0.87 CXCR4 (0.56) ACHEBCHEDRD4DRD2DRD3
SCHEMBL5486288 0.84 TACR2 (0.73) TACR3TACR2OPRM1
SCHEMBL6853012 0.84 TACR3 (0.64) ACHELMNATACR3KCNH2TACR2
SCHEMBL6853322 0.80 TACR3 (0.51) DRD2LMNATACR3KCNH2TACR2
SCHEMBL5440506 0.79 DHODH (0.51) LMNATACR3TACR2
SCHEMBL5945331 0.78 TACR2 (0.67) LMNATACR3KCNH2TACR2OPRM1
SCHEMBL6852921 0.78 TACR2 (0.53) LMNATACR3KCNH2TACR2OPRM1
SCHEMBL6202146 0.77 TACR2 (0.59) TACR3TACR2OPRM1
Hydrochloric Acid SCHEMBL6851636 0.77 TACR3 (0.52) TACR3KCNH2TACR2OPRM1
SCHEMBL6857830 0.77 TACR2 (0.55) LMNATACR3TACR2OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377567-B1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2005-12-21 EP claimed
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXOSMITHKLINE SPA 2005-08-11 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-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNQ3, KCNK3, KCNK2 ACHE 2723/4885BACE1 4706/4885BCHE 3111/4885

“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.