SCHEMBL14197407

SCHEMBL14197407

CO[C@H]1CNCCC1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.48
SLC6A4 P31645 8/20 0.48
SLC6A3 Q01959 7/20 0.39
GBA1 P04062 1/20 0.38
CTSD P07339 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8246025 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL714998 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL728811 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL9759607 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL29258683 0.82 SLC6A2 (0.41) SLC6A2SLC6A4
SCHEMBL26121856 0.82 SLC6A2 (0.41) SLC6A2SLC6A4
SCHEMBL8245028 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL748784 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3GBA1CTSD
SCHEMBL13566529 0.79 OPRM1 (0.50) SLC6A2SLC6A4
SCHEMBL29218400 0.79 OPRM1 (0.47) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080085915-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARYX THERAPEUTICS, INC. 2008-04-10 US disclosed
US-20080085915-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARYX THERAPEUTICS, INC. 2008-04-10 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-20080085915-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS CCKBR, HRH2, GRPR SLC6A2 95/4885SLC6A4 143/4885SLC6A3 197/4885

“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.