SCHEMBL4465672

SCHEMBL4465672

COc1cccc2c1CCCC2NC(=O)CCCCCBr

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.60
TAS1R3 Q7RTX0 3/20 0.59
TAS1R1 Q7RTX1 3/20 0.59
TAS1R2 Q8TE23 3/20 0.59
HTR1A P08908 2/20 0.53
HTR7 P34969 2/20 0.53
DRD2 P14416 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 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
SCHEMBL4475437 0.88 DRD4 (0.61) DRD4TAS1R3TAS1R1TAS1R2HTR1A
SCHEMBL4475562 0.87 DRD4 (0.62) DRD4TAS1R3TAS1R1TAS1R2CA1
SCHEMBL1564910 0.87 TAS1R3 (0.65) DRD4TAS1R3TAS1R1TAS1R2CA1
SCHEMBL1565272 0.84 DRD4 (0.64) DRD4TAS1R3TAS1R1TAS1R2CA1
SCHEMBL4463242 0.78 DRD4 (0.90) DRD4HTR1AHTR7DRD2
SCHEMBL5923920 0.76 TAS1R3 (0.87) DRD4TAS1R3TAS1R1TAS1R2CA1
SCHEMBL21214665 0.74 TAS1R3 (0.54) DRD4TAS1R3TAS1R1TAS1R2CA1
SCHEMBL4017033 0.74 TAS1R3 (0.61) DRD4TAS1R3TAS1R1TAS1R2CA1
SCHEMBL5923958 0.74 TAS1R3 (0.84) DRD4TAS1R3TAS1R1TAS1R2CA1
SCHEMBL704770 0.74 TAS1R3 (1.00) DRD4TAS1R3TAS1R1TAS1R2CA1

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-7488730-B2 N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-phenyl-1-piperazinealkylamide derivatives, and therapeutic use thereof as 5-HT7 receptor ligands UNIVERSITA DEGLI STUDI DI BARI (IT) 2009-02-10 US disclosed
US-20070117811-A1 N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-phenyl-1-piperazinealkylamide derivatives, and therapeutic use thereof as 5-HT7 receptor ligands UNIVERSITA DEGLI STUDI DI BARI (IT) 2007-05-24 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-20070117811-A1 N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-phenyl-1-piperazinealkylamide derivatives, and therapeutic use thereof as 5-HT7 receptor ligands HTR7, HTR3A, HTR1E DRD4 404/4885TAS1R3 795/4885TAS1R1 891/4885

“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.