SCHEMBL6482145

SCHEMBL6482145

c1ccc2c(c1)CCc1cc(NCc3ccc4c(c3)OCCO4)ccc1N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
GAA P10253 3/20 0.47
MAPT P10636 6/20 0.45
RAB9A P51151 2/20 0.45
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
SRC P12931 1/20 0.43
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6495200 0.81 HSD17B3 (0.48) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL6492117 0.81 INSR (0.49) ADRA2AADRA2BADRA2CGAAMAPT
SCHEMBL6494915 0.78 MAPT (0.47) ADRA2AADRA2BADRA2CGAAMAPT
SCHEMBL6492085 0.77 KIF11 (0.46) ADRA2AADRA2BADRA2CGAAMAPT
SCHEMBL6493441 0.77 GAA (0.53) GAAMAPTRAB9AALDH1A1KDM4E
SCHEMBL6492238 0.76 MAPT (0.51) GAAMAPTRAB9AALDH1A1KDM4E
SCHEMBL6493253 0.75 NPC1 (0.45) ADRA2AADRA2BADRA2CGAAMAPT
SCHEMBL6482635 0.74 MAPT (0.63) GAAMAPTRAB9AALDH1A1KDM4E
SCHEMBL6490364 0.74 MAPT (0.49) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6481769 0.74 MAPT (0.50) GAAMAPTRAB9AALDH1A1KDM4E

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 8 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6844343-B1 Nitric oxide synthase inhibitors; strokes VASOPHARM BIOTECH GMBH (DE) 2005-01-18 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US disclosed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 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 (2 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 ADRA2A 3290/4885ADRA2B 4029/4885ADRA2C 2539/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 ADRA2A 3689/4885ADRA2B 4243/4885ADRA2C 2987/4885

“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.