SCHEMBL12073602

SCHEMBL12073602

Cc1cc2c(c(N3CCN(CC[C@H]4CC[C@H](N)CC4)CC3)n1)CCO2

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.73
HTR2A P28223 20/20 0.73
DRD3 P35462 20/20 0.73

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 SCHEMBL1698935 0.99 DRD2 (0.72) DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL1698506 0.99 DRD2 (0.72) DRD2HTR2ADRD3
SCHEMBL1698602 0.84 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12073731 0.84 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12074824 0.82 DRD2 (0.71) DRD2HTR2ADRD3
SCHEMBL14874310 0.82 DRD2 (0.71) DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL1698410 0.81 DRD2 (0.70) DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL1698456 0.81 DRD2 (0.70) DRD2HTR2ADRD3
SCHEMBL1698359 0.80 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698357 0.80 DRD2 (1.00) DRD2HTR2ADRD3

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
EP-2582705-B1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8586579-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
WO-2011161009-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-12-22 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-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A DRD2 78/4885HTR2A 4/4885DRD3 84/4885

“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.