SCHEMBL4181907

SCHEMBL4181907

CN(C)Cc1ccc2oc(-c3ccccn3)cc(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.53
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
ACHE P22303 3/20 0.45
BCHE P06276 1/20 0.45
SIGMAR1 Q99720 10/20 0.45
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G4A P47712 1/20 0.40

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
SCHEMBL1646944 0.79 ACHE (0.50) CYP1A1CYP1A2CYP1B1ACHEBCHE
Hydrochloric Acid SCHEMBL1645890 0.78 ACHE (0.49) CYP1A1CYP1A2CYP1B1ACHEBCHE
SCHEMBL30307539 0.78 AHR (0.68) AHRCYP1A1CYP1A2CYP1B1ACHE
SCHEMBL5579211 0.78 AHR (0.68) AHRCYP1A1CYP1A2CYP1B1ACHE
SCHEMBL311813 0.74 MAPT (0.66) ACHEBCHEKDM4EALDH1A1TP53
SCHEMBL11561361 0.74 AHR (0.56) AHRCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL15265216 0.74 AHR (0.50) AHRCYP1A1CYP1A2CYP1B1SIGMAR1
SCHEMBL311042 0.73 ACHE (0.42) ACHEBCHESIGMAR1
SCHEMBL11564061 0.73 TNKS (0.57) AHRCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL12278333 0.70 AHR (0.56) AHRCYP1A1CYP1A2CYP1B1KDM4E

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
US-8410109-B2 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX CORP. (CA) 2013-04-02 US disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 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-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 AHR 707/4885CYP1A1 1221/4885CYP1A2 3340/4885

“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.