SCHEMBL3206001

SCHEMBL3206001

CCc1nc2c(C)cc(CC(C)C)nc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ADORA1 P30542 4/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 2/20 0.36
ESR1 P03372 1/20 0.35
IKBKB O14920 1/20 0.33
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL14134893 0.86 ADORA1 (0.32) NOS2ADORA1ADORA3ADORA2A
SCHEMBL14134952 0.86 ADORA1 (0.33) NOS2ADORA1ADORA3ADORA2A
SCHEMBL4362864 0.85 ADORA1 (0.41) NOS3NOS2ADORA1ADORA3ADORA2A
SCHEMBL3218809 0.78 POLB (0.41) GAA
SCHEMBL3210413 0.78 ADORA1 (0.36) ADORA1ADORA3ADORA2AGAAHTT
SCHEMBL1918476 0.77 ADORA1 (0.54) ADORA1ADORA3ADORA2AGAAHTT
SCHEMBL3206456 0.77 ADORA1 (0.35) ADORA1ADORA3ADORA2A
SCHEMBL14134995 0.77 CACNA1H (0.36) ADORA1ADORA3ADORA2A
SCHEMBL3209958 0.74 ADORA1 (0.33) ADORA1ADORA3ADORA2A
SCHEMBL3224434 0.74 JAK2 (0.34) ADORA1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
EP-2125806-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES Pfizer Products Inc. (US) 2009-12-02 EP disclosed
WO-2008084303-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2008-07-17 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-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES AGTR2, AGTR1, AGT NOS3 2000/4885NOS1 2230/4885NOS2 1246/4885

“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.