SCHEMBL6583376

SCHEMBL6583376

N#Cc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
FFAR4 Q5NUL3 1/20 0.51
CDC7 O00311 4/20 0.50
CYP19A1 P11511 1/20 0.49
ENPP3 O14638 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
PGR P06401 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CDK2 P24941 2/20 0.44
SCN9A Q15858 2/20 0.41
MGLL Q99685 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TDP2 O95551 2/20 0.40
EPHX2 P34913 1/20 0.39
KCNJ1 P48048 1/20 0.38

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
SCHEMBL12069041 0.92 SCN9A (0.52) KCNH2FFAR4CDC7CYP19A1ENPP3
SCHEMBL6961365 0.84 KCNH2 (0.56) KCNH2FFAR4CDC7CYP19A1ENPP3
SCHEMBL4282844 0.84 ENPP3 (0.56) FFAR4CDC7CYP19A1ENPP3KDM4E
SCHEMBL27403900 0.84 CDC7 (0.50) KCNH2FFAR4CDC7CYP19A1ENPP3
SCHEMBL20604693 0.81 KDM1A (0.48) KCNH2FFAR4CDC7CYP19A1ENPP3
SCHEMBL12069034 0.80 SCN9A (0.52) KCNH2CDC7CYP19A1KDM4ETP53
SCHEMBL3550220 0.79 CDC7 (0.51) KCNH2FFAR4CDC7CYP19A1ENPP3
SCHEMBL15228837 0.79 CDC7 (0.45) KCNH2FFAR4CDC7CYP19A1ENPP3
SCHEMBL28711440 0.79 CDC7 (0.45) FFAR4CDC7CYP19A1ENPP3CDK2
SCHEMBL5737999 0.79 KCNH2 (0.50) KCNH2FFAR4KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833376-B2 5-aminoalkyl and 5-aminocarbonyl substituted indole derivative useful for treatment of psychosis in a mammal H. LUNDBECK A/S (DK) 2004-12-21 US disclosed
EP-1214312-B1 5-AMINOALKYL AND 5-AMINOCARBONYL SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 2004-04-14 EP disclosed
US-6602889-B1 5-heteroaryl substituted indoles H. LUNDBECK A.S. (DK) 2003-08-05 US disclosed
EP-1068198-B1 5-HETEROARYL SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 2003-05-28 EP disclosed
US-20020169169-A1 5-aminoalkyl and 5-aminocarbonyl substituted indoles H. LUNDBECK A/S (DK) 2002-11-14 US disclosed
EP-1214312-A1 5-AMINOALKYL AND 5-AMINOCARBONYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 2002-06-19 EP disclosed
WO-2001021614-A1 5-AMINOALKYL AND 5-AMINOCARBONYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 2001-03-29 WO disclosed
EP-1068198-A1 5-HETEROARYL SUBSTITUTED INDOLES H.Lundbeck A/S (DK) 2001-01-17 EP disclosed
WO-1999046259-A1 5-HETEROARYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 1999-09-16 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-20020169169-A1 5-aminoalkyl and 5-aminocarbonyl substituted indoles ADRB1, ADRA2C, ADRB2 KCNH2 79/4885FFAR4 389/4885CDC7 4264/4885

“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.