SCHEMBL322004

SCHEMBL322004

c1cc2c(c(N3CCNCC3)n1)OCC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
EPHX2 P34913 1/20 0.42
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ADRB1 P08588 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL10224827 0.76 DRD2 (0.46) DRD2HTR2ADRD3SIGMAR1
SCHEMBL1698406 0.76 HTR2C (0.49) HTR2CDRD2HTR2ADRD3
SCHEMBL10200471 0.75 KDM4E (0.38) HTR2CHTR2A
SCHEMBL10200468 0.75 LRRK2 (0.43) HTR2CHTR2A
SCHEMBL2113208 0.75 HTR6 (0.50) HTR2CSIGMAR1
Hydrochloric Acid SCHEMBL2109178 0.74 HTR6 (0.49) HTR2CSIGMAR1
Hydrochloric Acid SCHEMBL2112540 0.74 KDM4E (0.38) HTR2CHTR2A
Hydrochloric Acid SCHEMBL2111490 0.74 LRRK2 (0.42) HTR2CHTR2A
SCHEMBL4312720 0.74 SLC6A4 (0.39) HTR2CEPHX2ADRB1SLC6A2SLC6A4
SCHEMBL31400760 0.74 KMT2A (0.39)

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-2590984-B1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-01-28 EP disclosed
US-8470828-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
EP-2590984-A1 ANELLATED PYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP disclosed
WO-2012004206-A1 ANELLATED PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-01-12 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-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A HTR2C 10/4885EPHX2 793/4885DRD2 57/4885

“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.