SCHEMBL3780301

SCHEMBL3780301

Cc1nccc(C(C)c2c[nH]cn2)c1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.31
▸ PDE3B Q13370 2/20 0.30
▸ PDE3A Q14432 2/20 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
SCHEMBL13256198 0.82 GABRA1 (0.30) —
Hydrochloric Acid SCHEMBL7640665 0.81 HRH1 (0.36) —
SCHEMBL16152408 0.80 PDE3B (0.31) PDE3BPDE3A
Dexmedetomidine SCHEMBL119382 0.77 ADRA2A (0.50) —
Dexmedetomidine SCHEMBL14861666 0.77 ADRA2A (0.50) —
Dexmedetomidine SCHEMBL29431568 0.77 ADRA2A (0.50) —
Medetomidine SCHEMBL787913 0.77 ADRA2A (0.50) —
Medetomidine SCHEMBL26432 0.77 ADRA2A (0.50) —
Medetomidine SCHEMBL18497244 0.77 ADRA2A (0.50) —
Dexmedetomidine SCHEMBL12092460 0.77 ADRA2A (0.50) —

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
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
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
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
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
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 CYP2A6 768/4885PDE3B 185/4885PDE3A 284/4885

“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.

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