SCHEMBL430262

SCHEMBL430262

CCOC(=O)c1nnn2c1ccc1c(CCN3CCN(c4cccc5nc(C)ccc45)C[C@H]3C)cccc12

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.65
SLC6A4 P31645 17/20 0.65
HTR1D P28221 17/20 0.65
KCNH2 Q12809 14/20 0.65
HTR1B P28222 14/20 0.65
CYP2C9 P11712 1/20 0.48
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL10212327 0.92 HTR1A (0.68) HTR1ASLC6A4HTR1DKCNH2HTR1B
Ammonia Solution, Strong SCHEMBL431685 0.92 HTR1A (0.68) HTR1ASLC6A4HTR1DKCNH2HTR1B
Hydrochloric Acid SCHEMBL428164 0.91 HTR1A (0.67) HTR1ASLC6A4HTR1DKCNH2HTR1B
SCHEMBL430617 0.89 HTR1A (0.61) HTR1ASLC6A4HTR1DKCNH2HTR1B
Hydrochloric Acid SCHEMBL427845 0.88 HTR1A (0.61) HTR1ASLC6A4HTR1DKCNH2HTR1B
SCHEMBL428428 0.87 HTR1A (0.65) HTR1ASLC6A4HTR1DKCNH2HTR1B
Hydrochloric Acid SCHEMBL428324 0.86 HTR1A (0.65) HTR1ASLC6A4HTR1DKCNH2HTR1B
Hydrochloric Acid SCHEMBL430116 0.81 HTR1A (0.70) HTR1ASLC6A4HTR1DKCNH2HTR1B
Ammonia Solution, Strong SCHEMBL426078 0.80 HTR1A (0.68) HTR1ASLC6A4HTR1DKCNH2HTR1B
SCHEMBL5260469 0.80 HTR1A (0.51) HTR1ASLC6A4HTR1DKCNH2HTR1B

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 3 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
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 7/4885SLC6A4 376/4885HTR1D 11/4885

“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.