SCHEMBL13809609

SCHEMBL13809609

NCCCCN1CCN(c2c(F)sc3cc(F)ccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
DRD4 P21917 2/20 0.40
HTR1A P08908 3/20 0.39
DRD2 P14416 2/20 0.39
CYP2D6 P10635 1/20 0.39
ADRA1B P35368 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RAB9A P51151 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL13809610 0.81 HTR1A (0.57) HTR2AHTR1ADRD2CYP2D6ADRA1B
SCHEMBL7815509 0.78 HTR2A (0.61) HTR2ADRD4HTR1ADRD2ADRA1B
SCHEMBL4299920 0.74 HTR2A (0.57) HTR2ADRD4HTR1ADRD2ADRA1B
SCHEMBL4438394 0.74 HTR2A (0.56) HTR2ADRD4HTR1ADRD2ADRA1B
SCHEMBL4307343 0.73 KDR (0.42) HTR1ADRD2RAB9A
SCHEMBL4910280 0.73 ADRA1B (0.63) HTR1ACYP2D6ADRA1BSIGMAR1ADRA1A
SCHEMBL3197906 0.71 CYP2D6 (0.63) HTR2ADRD4HTR1ADRD2CYP2D6
SCHEMBL7653085 0.67 CYP2D6 (0.70) HTR2ADRD4HTR1ADRD2CYP2D6
SCHEMBL8828407 0.66 ADRA1B (0.48) HTR2AHTR1ADRD2CYP2D6ADRA1B
SCHEMBL946834 0.65 SIGMAR1 (0.59) HTR2AHTR1ADRD2CYP2D6SIGMAR1

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-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 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-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 HTR2A 46/4885DRD4 13/4885HTR1A 52/4885

“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.