SCHEMBL3040301

SCHEMBL3040301

c1cc(CNC2Cc3ccccc3C2)cc(-c2ccc3[nH]cnc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.43
FYN P06241 1/20 0.40
HDAC1 Q13547 1/20 0.40
MAP4K4 O95819 7/20 0.39
PRMT5 O14744 1/20 0.39
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
DRD2 P14416 1/20 0.36

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
Hydrochloric Acid SCHEMBL3034191 0.99 GRIN2B (0.42) GRIN2BFYNHDAC1MAP4K4PRMT5
SCHEMBL3044397 0.91 HDAC1 (0.46) GRIN2BFYNHDAC1PRMT5DRD2
SCHEMBL13137266 0.85 GRIN2B (0.40) GRIN2BFYNHDAC1PRMT5DRD2
SCHEMBL13137081 0.85 MAP4K4 (0.50) MAP4K4CARM1PRMT6
SCHEMBL13137147 0.84 GRIN2B (0.39) GRIN2BFYNHDAC1PRMT5
Hydrochloric Acid SCHEMBL3047248 0.84 GRIN2B (0.39) GRIN2BFYNHDAC1PRMT5DRD2
Hydrochloric Acid SCHEMBL3053348 0.84 MAP4K4 (0.49) MAP4K4CARM1PRMT6
SCHEMBL13137128 0.84 OPRM1 (0.37) GRIN2BFYNHDAC1PRMT5
SCHEMBL13137158 0.84 GRIN2B (0.37) GRIN2BFYNHDAC1PRMT5
SCHEMBL13137135 0.84 ALOX5AP (0.41) GRIN2BFYNHDAC1PRMT5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US claimed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 GRIN2B 148/4885FYN 2222/4885HDAC1 2221/4885

“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.