SCHEMBL13409684

SCHEMBL13409684

Fc1ccc2c(C3CCN(Cl)CC3)noc2c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.69
DRD2 P14416 3/20 0.67
SLC6A4 P31645 1/20 0.67
SCD O00767 1/20 0.54
HTR2A P28223 2/20 0.54
HTR1A P08908 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL7964524 0.86 DRD2 (0.75) ACHEDRD2SLC6A4SCDHTR2A
SCHEMBL1545611 0.85 ACHE (0.93) ACHEDRD2SLC6A4HTR2AHTR1A
SCHEMBL6182384 0.83 ACHE (0.80) ACHEDRD2SLC6A4HTR2AHTR1A
SCHEMBL13898738 0.83 DRD2 (0.67) ACHEDRD2SLC6A4SCDHTR2A
SCHEMBL18432239 0.83 DRD2 (0.82) ACHEDRD2SLC6A4HTR2A
SCHEMBL10637057 0.83 ACHE (0.65) ACHEDRD2SLC6A4HTR2A
SCHEMBL7353484 0.83 ACHE (0.76) ACHEDRD2SLC6A4HTR2A
SCHEMBL1545202 0.82 ACHE (0.57) ACHEDRD2SLC6A4HTR2A
SCHEMBL14282332 0.82 ACHE (0.74) ACHEDRD2SLC6A4HTR2A
SCHEMBL3122834 0.81 ACHE (0.77) ACHEDRD2SLC6A4HTR2AHTR1A

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
EP-2303877-B1 PROCESS TO PREPARE PALIPERIDONE AND INTERMEDIATES THEREOF INKE SA (ES) 2017-02-15 EP disclosed
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 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-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 ACHE 390/4885DRD2 1277/4885SLC6A4 2450/4885

“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.