SCHEMBL6615340

SCHEMBL6615340

Cc1ccc(Cl)c2occ(CCC(=O)N3CCN(c4cccc5c4OCCO5)CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
AIMP2 Q13155 1/20 0.42
DRD2 P14416 3/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6615335 0.85 MAPT (0.39) AIMP2POLBMAPT
SCHEMBL6609064 0.83 DRD2 (0.60) HTR1ADRD2
SCHEMBL6610101 0.69 DRD2 (0.60) HTR1ADRD2
SCHEMBL6608716 0.69 DRD2 (0.55) HTR1ADRD2
SCHEMBL9466855 0.69 HTR1A (0.45) HTR1A
SCHEMBL6615339 0.69 AIMP2 (0.38) AIMP2POLBMAPT
SCHEMBL7127651 0.69 L3MBTL1 (0.61) HTR1AHTR1DHTR1BMAPT
SCHEMBL6609658 0.68 DRD2 (0.69) HTR1ADRD2
SCHEMBL6609724 0.68 DRD2 (0.64) HTR1ADRD2
SCHEMBL9183299 0.68 HTR1A (0.58) HTR1AHTR1DHTR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149087-B1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-04-07 EP disclosed
US-6596722-B2 Serotonin reuptake inhibitors/HT3 receptor antagonists useful for treatment of depression, psychosis, anxiety disorders, panic disorder, obsessive compulsive disorder, and eating disorders H. LUNDBECK A/S (DK) 2003-07-22 US disclosed
US-20020173512-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use H. LUNDBECK A/S 2002-11-21 US disclosed
US-20020035113-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-03-21 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 (2 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-20020035113-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use DRD1, DRD2, H1-5 HTR1A 51/4885HTR1D 23/4885HTR1B 53/4885
US-20020173512-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use DRD1, DRD2, H1-5 HTR1A 51/4885HTR1D 23/4885HTR1B 53/4885

“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.