SCHEMBL1698462

SCHEMBL1698462

Cc1cc2c(c(N3CCNCC3)n1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.48
HTR2A P28223 4/20 0.48
DRD3 P35462 4/20 0.48
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PDE10A Q9Y233 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
NCF1 P14598 1/20 0.39
HTR2C P28335 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL1698406 0.74 HTR2C (0.49) DRD2HTR2ADRD3HTR2C
SCHEMBL12073602 0.71 DRD2 (0.73) DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL1698506 0.70 DRD2 (0.72) DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL1698935 0.70 DRD2 (0.72) DRD2HTR2ADRD3
SCHEMBL1698465 0.69 DRD2 (0.48) DRD2HTR2ADRD3HTR2C
SCHEMBL605361 0.67 HRH4 (0.55) HTR2AADRB1HTR2CHRH4TGFBR1
SCHEMBL602105 0.67 HRH4 (0.67) HTR2AADRB1HTR2CHRH4
SCHEMBL6092156 0.66 HTR2C (0.59) HTR2AKDM4EALDH1A1HPGDADRB2
SCHEMBL1698371 0.66 HTR2C (0.61) DRD2HTR2ADRD3KDM4EALDH1A1
SCHEMBL1515373 0.66 CASP1 (0.58) KDM4EALDH1A1HPGDADRB2ADRB1

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.