SCHEMBL6640639

SCHEMBL6640639

c1ccc2cc(CCN3CCN(c4nccc5ccoc45)CC3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
HTR1A P08908 3/20 0.49
SLC6A4 P31645 2/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
DRD2 P14416 2/20 0.41
PKM P14618 1/20 0.41
DRD1 P21728 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR3A P46098 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
SCHEMBL6641893 0.84 HRH3 (0.52) HRH3HTR1ASLC6A4HTR1DHTR1B
SCHEMBL6643131 0.81 HTR2B (0.51) HTR1ADRD2DRD1
SCHEMBL6640157 0.79 SLC6A4 (0.51) HRH3HTR1ASLC6A4HTR1DHTR1B
SCHEMBL6640773 0.78 PDCD1 (0.42)
SCHEMBL6640236 0.78 SLC6A2 (0.48) SLC6A4HTR2AHTR2CHTR3A
SCHEMBL6641341 0.76 SLC6A2 (0.46) SLC6A4SIGMAR1
SCHEMBL6638203 0.74 HTR1A (0.52) HRH3HTR1ASLC6A4HTR1DHTR1B
SCHEMBL6639763 0.73 SLC6A2 (0.45) SLC6A4SIGMAR1
SCHEMBL3675952 0.72 HRH4 (0.56) HRH3HTR2C
SCHEMBL8122208 0.72 HTR1A (0.67) HTR1ASLC6A4HTR1DHTR1BDRD2

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 HRH3 976/4885HTR1A 866/4885SLC6A4 1106/4885

“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.