SCHEMBL3789168

SCHEMBL3789168

OC(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccnc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SIRT2 Q8IXJ6 7/20 0.34
CYP2D6 P10635 8/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NCF1 P14598 1/20 0.33

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
SCHEMBL2204309 0.84 TSHR (0.43) CYP11B1CYP11B2SIRT2CYP2C19CYP3A4
SCHEMBL2202154 0.78 CYP11B1 (0.40) CYP11B1CYP11B2SIRT2
SCHEMBL17651947 0.78 SIRT2 (0.36) CYP11B1CYP11B2SIRT2
SCHEMBL1479136 0.78 CYP11B1 (0.36) CYP11B1CYP11B2SIRT2
SCHEMBL845130 0.76 CYP11B1 (0.43) CYP11B1CYP11B2SIRT2CYP2D6CYP2C19
SCHEMBL12510466 0.75 SIRT2 (0.35) CYP11B1CYP11B2SIRT2
SCHEMBL6963184 0.74 CYP11B1 (0.33) CYP11B1CYP11B2SIRT2
SCHEMBL6965789 0.74 CYP11B1 (0.33) CYP11B1CYP11B2SIRT2
SCHEMBL1039275 0.74 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2
SCHEMBL12887208 0.73 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393800-B1 PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN INC (US) 2014-10-08 EP disclosed
US-20110306635-A1 PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND /OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN ,INC. (US) 2011-12-15 US disclosed
EP-2393800-A1 PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS Allergan, Inc. (US) 2011-12-14 EP disclosed
WO-2010091209-A1 PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2010-08-12 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-20110306635-A1 PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND /OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB2, ADRA2B CYP11B1 213/4885CYP11B2 138/4885SIRT2 1378/4885

“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.