SCHEMBL5995658

SCHEMBL5995658

CCCCN(Cc1ccc(Cl)cc1)C1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.63
SLC6A2 P23975 13/20 0.56
SLC6A4 P31645 13/20 0.56
SLC6A3 Q01959 3/20 0.56
NOS3 P29474 2/20 0.53
NOS1 P29475 2/20 0.53
TACR1 P25103 1/20 0.49
KMT2A Q03164 1/20 0.47
MBTPS1 Q14703 1/20 0.44

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
SCHEMBL4484262 0.92 SLC6A2 (0.67) NOS2SLC6A2SLC6A4SLC6A3NOS3
SCHEMBL5995836 0.87 SLC6A2 (0.64) NOS2SLC6A2SLC6A4SLC6A3NOS3
SCHEMBL653076 0.85 NOS2 (0.60) NOS2SLC6A2SLC6A4SLC6A3NOS3
SCHEMBL5995618 0.85 SLC6A2 (0.59) NOS2SLC6A2SLC6A4SLC6A3NOS3
Hydrochloric Acid SCHEMBL654356 0.84 NOS2 (0.59) NOS2SLC6A2SLC6A4SLC6A3NOS3
SCHEMBL5993873 0.84 SLC6A2 (0.57) NOS2SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL5761184 0.83 SLC6A2 (0.56) NOS2SLC6A2SLC6A4SLC6A3NOS3
SCHEMBL5994236 0.82 NOS2 (0.71) NOS2SLC6A2SLC6A4SLC6A3NOS3
SCHEMBL4486350 0.80 SLC6A2 (0.68) NOS2SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL5994994 0.79 SLC6A2 (0.77) NOS2SLC6A2SLC6A4SLC6A3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079554-A1 Inhibitors of monomine uptake ELI LILLY AND COMPANY 2006-04-13 US disclosed
EP-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO 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-20060079554-A1 Inhibitors of monomine uptake SLC6A2, SLC18A2, SLC6A3 NOS2 868/4885SLC6A2 1/4885SLC6A4 4/4885

“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.