SCHEMBL10021790

SCHEMBL10021790

COc1ccccc1N1CCN(CCC(Oc2ccc(F)cc2)c2ccccc2)CC1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.88
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
LMNA P02545 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 1/20 0.60
NLRP1 Q9C000 1/20 0.60

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
SCHEMBL10021791 0.91 HTR1A (0.88) HTR1AADRA1DADRA1AADRA1B
SCHEMBL10052738 0.90 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1B
SCHEMBL351932 0.89 HTR1A (0.69) HTR1ALMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL10021795 0.88 HTR1A (0.68) HTR1A
SCHEMBL351933 0.84 HTR1A (0.81) HTR1A
SCHEMBL10021771 0.84 HTR1A (0.62) HTR1A
SCHEMBL10021775 0.84 HTR1A (0.67) HTR1A
SCHEMBL7722384 0.83 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1B
SCHEMBL7722387 0.83 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1B
SCHEMBL9036477 0.82 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BALDH1A1

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 3/4885ADRA1D 352/4885ADRA1A 284/4885

“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.