SCHEMBL6640236

SCHEMBL6640236

c1ccc2cc(COC3CCN(c4nccc5ccoc45)CC3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
HTR3A P46098 1/20 0.48
HTR4 Q13639 1/20 0.48
KCNH2 Q12809 2/20 0.44
MALT1 Q9UDY8 1/20 0.36
REN P00797 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL6640773 0.81 PDCD1 (0.42) MALT1
SCHEMBL6641341 0.80 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2MALT1
SCHEMBL6640639 0.78 HRH3 (0.52) SLC6A4HTR2AHTR2CHTR3A
SCHEMBL6639763 0.77 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNH2MALT1
SCHEMBL7600071 0.74 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR2AKCNH2
SCHEMBL18616440 0.70 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
Litoxetine SCHEMBL119884 0.66 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
Litoxetine SCHEMBL30505553 0.66 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL6636900 0.66 HTR2C (0.46) HTR2AHTR2C
Litoxetine SCHEMBL241925 0.65 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1078928-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-05-12 EP disclosed
US-6486171-B2 USEFUL IN THE TREATMENT OF SOME CENTRAL NERVOUS SYSTEM DISORDERS INCLUDING AS AN ANTIDEPRESSANT; 4-(1-(2-NAPHTHYL)ETHYL)-4- PIPERIDINYL)THIENO(3,2-C)PYRIDINE, FOR EXAMPLE LES LABORATOIRES SERVIER (FR) 2002-11-26 US disclosed
US-20020161228-A1 Piperidine compounds ADIR ET COMPAGNIE 2002-10-31 US disclosed
US-6399616-B1 4-(4-(2-(5-(1,2,4-TRIAZOL-1-YLMETHYL)-1H-INDOL-3-YL)ETHYL)-1 -PIPERAZINYL)FURO(3,2-C)PYRIDINE; COMBINED SEROTONIN REUPTAKE INHIBITOR AND PARTIAL AGONIST OF 5-HT RECEPTORS; REDUCED LATENCY; DEPRESSION LES LABORATOIRES SERVIER (FR) 2002-06-04 US disclosed
EP-1078928-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-02-28 EP 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-20020161228-A1 Piperidine compounds OTC, NPPA, AQP4 SLC6A2 1089/4885SLC6A4 1106/4885SLC6A3 1019/4885

“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.