SCHEMBL1698371

SCHEMBL1698371

Cc1cc2occc2c(N2CCNCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.61
DRD2 P14416 4/20 0.48
HTR2A P28223 4/20 0.48
DRD3 P35462 4/20 0.48
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
NCF1 P14598 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
DYRK1A Q13627 1/20 0.43
PHGDH O43175 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL12074685 0.79 DRD2 (0.60) DRD2HTR2ADRD3PHGDHKDM4E
SCHEMBL30297584 0.76 HTR2C (1.00) HTR2CDYRK1A
SCHEMBL1026755 0.76 HTR2C (1.00) HTR2CDYRK1A
SCHEMBL6092156 0.75 HTR2C (0.59) HTR2CHTR2AADRB2ADRB1NCF1
Hydrochloric Acid SCHEMBL6101642 0.74 HTR2C (0.57) HTR2CHTR2AADRB2ADRB1NCF1
SCHEMBL13094488 0.71 HTR2C (0.89) HTR2CDYRK1A
SCHEMBL14874373 0.71 DRD2 (0.73) DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL1698353 0.70 DRD2 (0.72) DRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL15385233 0.70 DRD2 (0.72) DRD2HTR2ADRD3
SCHEMBL3679159 0.69 HTR1A (0.53) ADRB2ADRB1NCF1KDM4EALDH1A1

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 7 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
EP-0041891-A1 6-Methyl-4-(1-piperazinyl)-furo(3,2-c)pyridines, process for their preparation and their therapeutic use RIOM LABORATOIRES- C.E.R.M. (Société Anonyme) (FR) 1981-12-16 EP disclosed
WO-1981003493-A1 4-(1-PIPERAZINYL)-FURO(3,2C)PYRIDINE DERIVATIVES,PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CERM CENT EUROP RECH MAUVERNAY (FR) 1981-12-10 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-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A HTR2C 10/4885DRD2 78/4885HTR2A 4/4885

“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.