SCHEMBL430587

SCHEMBL430587

OCC(O)Cc1cccc2c1OCc1cncn1-2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.46
HTR1D P28221 3/20 0.46
HTR1B P28222 3/20 0.46
SLC6A4 P31645 3/20 0.46
KCNH2 Q12809 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAP3K5 Q99683 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30

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
SCHEMBL430029 0.74 HTR1A (0.55) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL433227 0.73 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL30480678 0.60 CYP3A4 (0.41) CYP3A4CYP2C19
SCHEMBL28177618 0.60 CYP3A4 (0.41) CYP3A4CYP2C19
SCHEMBL28094028 0.58 ESR1 (0.48) KCNH2CYP3A4
SCHEMBL27531705 0.57 CYP1A2 (0.50) SLC6A4KCNH2CYP3A4
SCHEMBL8418317 0.57 CYP1A2 (0.50) SLC6A4KCNH2CYP3A4
SCHEMBL8997131 0.56 GABRA1 (0.47) CYP3A4
SCHEMBL28107514 0.55 CYP1A2 (0.41) CYP3A4
SCHEMBL565137 0.55 HSPA5 (0.50) SLC6A4CYP3A4

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
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE HTR1A 7/4885HTR1D 11/4885HTR1B 25/4885

“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.