SCHEMBL10021773

SCHEMBL10021773

Fc1ccc(OC(CCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.78
DRD2 P14416 1/20 0.60
DRD1 P21728 1/20 0.60
HTR2A P28223 1/20 0.60
DRD3 P35462 1/20 0.60
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL10021774 0.89 HTR1A (0.75) HTR1A
SCHEMBL10021746 0.88 HTR1A (0.62) HTR1ADRD2DRD1HTR2ADRD3
SCHEMBL10052723 0.88 HTR1A (1.00) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL351933 0.86 HTR1A (0.81) HTR1ADRD2HTR2ADRD3SLC6A2
SCHEMBL10021775 0.83 HTR1A (0.67) HTR1ASLC6A4
SCHEMBL10021795 0.81 HTR1A (0.68) HTR1A
SCHEMBL10021790 0.80 HTR1A (0.88) HTR1A
SCHEMBL10021771 0.79 HTR1A (0.62) HTR1A
SCHEMBL10021767 0.78 HTR1A (0.67) HTR1ASLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL10021759 0.77 HTR1A (0.63) HTR1ADRD2DRD1HTR2ADRD3

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-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2012-01-19 US disclosed
US-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2012-01-19 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-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS HTR2A, HTR2C, HTR1A HTR1A 3/4885DRD2 54/4885DRD1 145/4885

“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.