SCHEMBL6483897

SCHEMBL6483897

c1ccc2c(c1)oc1ccc(NCc3nccs3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.49
MAPT P10636 5/20 0.40
NPC1 O15118 5/20 0.40
MAP3K8 P41279 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 5/20 0.39
RAB9A P51151 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 2/20 0.39
GAA P10253 1/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 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
SCHEMBL6483203 0.86 TRPM5 (0.48) TRPM5MAPTNPC1MAP3K8MEN1
SCHEMBL6482209 0.77 KDM4E (0.61) MAPTNPC1MAOBMEN1RAB9A
SCHEMBL6491860 0.76 KDM4E (0.49) MAPTNPC1MAOBMEN1RAB9A
SCHEMBL6482039 0.75 LOXL2 (0.42) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL6482295 0.75 HPGD (0.54) MAPTNPC1MAOBMEN1RAB9A
SCHEMBL7246584 0.75 CYP1A2 (0.53) MAPTNPC1MAOBMEN1RAB9A
SCHEMBL2718512 0.74 MAOB (0.55) TRPM5NPC1KDM1AMAOBMEN1
SCHEMBL6497967 0.74 NPC1 (0.48) MAPTNPC1MAOBMEN1RAB9A
SCHEMBL6481559 0.73 LTA4H (0.56) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL7245463 0.72 MAOB (0.47) MAPTNPC1MAOBMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO claimed
US-6919377-B2 Cyclohexylamine derivative as subtype selective NMDA receptor antagonists WARNER LAMBERT COMPANY LLC (US) 2005-07-19 US disclosed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030236286-A1 Cyclohexylamine derivative as subtype selective nmda receptor antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-12-25 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US disclosed
EP-1278716-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-01-29 EP disclosed
WO-2001081295-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-11-01 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 (3 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 TRPM5 1228/4885MAPT 2337/4885NPC1 1256/4885
US-20030236286-A1 Cyclohexylamine derivative as subtype selective nmda receptor antagonists GRIN1, GRIN2A, GRIN2B TRPM5 52/4885MAPT 980/4885NPC1 1230/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 TRPM5 468/4885MAPT 3500/4885NPC1 2036/4885

“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.