SCHEMBL4546536

SCHEMBL4546536

CNc1nc(CNCC2(F)CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)ccc1C

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.90
DRD2 P14416 1/20 0.63
DRD4 P21917 1/20 0.63
DRD3 P35462 1/20 0.63

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
SCHEMBL13533303 0.96 HTR1A (0.87) HTR1ADRD2DRD4DRD3
SCHEMBL30628143 0.95 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL5184178 0.95 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL4546540 0.95 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL4546541 0.91 HTR1A (0.78) HTR1ADRD2DRD4DRD3
SCHEMBL13533293 0.88 HTR1A (0.73) HTR1A
SCHEMBL13533295 0.85 HTR1A (0.73) HTR1ADRD2DRD4DRD3
SCHEMBL14164158 0.84 HTR1A (0.89) HTR1ADRD2DRD4DRD3
SCHEMBL13959413 0.84 HTR1A (0.81) HTR1ADRD2DRD4DRD3
SCHEMBL5184137 0.83 HTR1A (1.00) HTR1A

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-8168786-B2 1,2,4-triazole- 3,5-dione derivatives; for imaging and therapy of psychiatric, eating, sleeping, bipolar disorder; anxiolytic agent, antidepressant; Alzheimer's, Parkinson's diseases, epilepsy; imaging agents for a serotonin receptor THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-05-01 US disclosed
US-20080138283-A1 Radiolabeled compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-06-12 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-20080138283-A1 Radiolabeled compounds and uses thereof HTR5A, SLC18A2, HTR1A HTR1A 3/4885DRD2 37/4885DRD4 65/4885

“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.