SCHEMBL1698465

SCHEMBL1698465

Cc1cnc(N2CCNCC2)c2c1OCC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
HTR2A P28223 4/20 0.48
DRD3 P35462 4/20 0.48
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL8737231 0.71 DRD2 (0.36) DRD2HTR2ADRD3CYP1A2
Hydrochloric Acid SCHEMBL1698466 0.71 DRD2 (0.70) DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL1698592 0.71 DRD2 (0.70) DRD2HTR2ADRD3
SCHEMBL1698406 0.71 HTR2C (0.49) DRD2HTR2ADRD3HTR2C
SCHEMBL16795286 0.69 MEN1 (0.44) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1698462 0.69 DRD2 (0.48) DRD2HTR2ADRD3HTR2C
SCHEMBL2366129 0.68 TAAR1 (0.47) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL322004 0.68 HTR2C (0.49) DRD2HTR2ADRD3HTR2C
Hydrochloric Acid SCHEMBL2366927 0.67 TAAR1 (0.46) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL2366907 0.66 HRH4 (0.48) MEN1CYP1A2CYP3A4CYP2D6TSHR

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
EP-2582705-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP 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

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.