SCHEMBL6004157

SCHEMBL6004157

ClCCC(Oc1ccc2c(c1)OCO2)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.60
MAOB P27338 4/20 0.55
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAOA P21397 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CYP3A4 P08684 2/20 0.40
SLC6A4 P31645 2/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 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
SCHEMBL6567646 0.75 SLC6A9 (0.54) HTR1AMAPTUTS2RCYP2D6CYP2C19
SCHEMBL6004084 0.73 SLC6A4 (0.49) HTR1AUTS2RKMT2ASLC6A4SLC6A2
SCHEMBL6006280 0.73 SLC6A4 (0.52) HTR1ATSHRUTS2RSLC6A4
SCHEMBL6005399 0.72 SLC6A4 (0.59) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL9193366 0.72 SLC6A4 (0.62) HTR1ATSHRKMT2AMEN1RAB9A
SCHEMBL9398690 0.72 HTR1A (0.57) HTR1AMAOBSLC6A4
SCHEMBL7298614 0.70 KMT2A (0.54) KMT2AMEN1CYP3A4SLC6A4CYP1A2
SCHEMBL15865374 0.70 KMT2A (0.54) MAOBMAPTMAOAKMT2AMEN1
SCHEMBL6006311 0.70 SLC6A4 (0.46) HTR1AMAOBMAOASLC6A4CYP2D6
SCHEMBL13418821 0.68 PPARA (0.59) HTR1AMAOBMAPTTSHRNPSR1

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
US-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. 2006-12-21 US disclosed
EP-1014966-B1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2006-08-02 EP disclosed
US-7019024-B2 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. (US) 2006-03-28 US disclosed
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders NPS PHARMACEUTICALS, INC. 2001-08-09 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-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC18A2, SLC6A1, SLC6A11 HTR1A 145/4885MAOB 54/4885MAPT 29/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 HTR1A 43/4885MAOB 98/4885MAPT 30/4885

“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.