SCHEMBL426903

SCHEMBL426903

C=CCc1cccc2c1OCc1c(C(=O)NC3CCCC3)ncn1-2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.58
HTR1D P28221 14/20 0.58
HTR1B P28222 14/20 0.58
SLC6A4 P31645 14/20 0.58
KCNH2 Q12809 14/20 0.58
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.43
ADRA1A P35348 1/20 0.41
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL429162 0.92 HTR1A (0.59) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL431768 0.84 HTR1A (0.57) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL427787 0.83 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL426924 0.80 HTR1A (0.55) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL430212 0.78 HTR1A (0.57) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL10268330 0.74 HTR1A (1.00) HTR1AHTR1DHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL430792 0.74 HTR1A (0.99) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL426910 0.71 HTR1A (0.56) HTR1AHTR1DHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL432582 0.70 HTR1A (0.99) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL426964 0.69 HTR1A (0.58) HTR1AHTR1DHTR1BSLC6A4KCNH2

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 2 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
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 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-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.