SCHEMBL14949871

SCHEMBL14949871

c1ccc2c(CCC3CCC(CCNCCC4CCC(CCc5cccc6ccccc56)O4)C3)cccc2c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.62
SLC6A2 P23975 1/20 0.62
SLC18A2 Q05940 1/20 0.41
DRD2 P14416 1/20 0.38
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
MTNR1A P48039 1/20 0.36
NQO2 P16083 1/20 0.36
BCHE P06276 2/20 0.36
CYP2D6 P10635 1/20 0.35
HPGD P15428 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
SCHEMBL5530756 0.91 SLC6A4 (0.72) SLC6A4SLC6A2SLC18A2MTNR1ANQO2
SCHEMBL4615995 0.77 SLC6A4 (1.00) SLC6A4SLC6A2SLC18A2SSTR2SSTR4
SCHEMBL4616463 0.77 SLC6A4 (0.84) SLC6A4SLC6A2SLC18A2SSTR2SSTR4
SCHEMBL4615998 0.77 SLC6A4 (1.00) SLC6A4SLC6A2SLC18A2SSTR2SSTR4
SCHEMBL2689256 0.77 SLC6A4 (0.84) SLC6A4SLC6A2SLC18A2SSTR2SSTR4
SCHEMBL8267196 0.76 SLC6A4 (0.69) SLC6A4SLC6A2SLC18A2SSTR2SSTR4
SCHEMBL7050745 0.70 SLC6A2 (0.63) SLC6A4SLC6A2SLC18A2SSTR2SSTR4
SCHEMBL5530774 0.69 SLC6A4 (0.77) SLC6A4SLC6A2
SCHEMBL5534081 0.69 SLC6A2 (0.68) SLC6A4SLC6A2
SCHEMBL5830749 0.69 BCHE (0.61) SLC6A4SLC6A2SLC18A2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2013-05-16 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-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 SLC6A4 104/4885SLC6A2 47/4885SLC18A2 2/4885

“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.