SCHEMBL8468669

SCHEMBL8468669

FC1(c2ccccc2)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
AKR1C1 Q04828 1/20 0.46
MAOB P27338 4/20 0.44
MAOA P21397 3/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CYP2B6 P20813 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
PRCP P42785 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GRIN1 Q05586 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL415543 0.97 SLC6A4 (0.47) DPP4AKR1C1GRIN2DGRIN3BCYP2B6
SCHEMBL18231169 0.95 MAOB (0.44) DPP4AKR1C1MAOBMAOA
SCHEMBL19992871 0.89 MAOB (0.48) MAOBMAOA
SCHEMBL1286640 0.78 MAOB (0.40) MAOBMAOA
SCHEMBL242049 0.78 OPRM1 (0.61) MAOBMAOA
Hydrochloric Acid SCHEMBL744977 0.77 OPRM1 (0.59) MAOBMAOASIGMAR1
SCHEMBL21077986 0.75 GRM2 (0.39) MAOBMAOAGRIN2DGRIN3BCYP2B6
SCHEMBL6924365 0.75 OPRM1 (0.55) GRIN2DGRIN3BSLC6A4GRIN1KCNH2
SCHEMBL25409955 0.73 HTR2A (0.42) MAOBMAOA
SCHEMBL23415061 0.73 HDAC1 (0.36) SLC6A3

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
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO 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-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF DPP4 3455/4885AKR1C1 1633/4885MAOB 1133/4885

“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.