SCHEMBL13712872

SCHEMBL13712872

Cc1ccc(C(CN2CCNCC2)C2(O)CCCCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.77
SLC6A4 P31645 8/20 0.77
SLC6A3 Q01959 6/20 0.63

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
SCHEMBL27683951 0.88 SLC6A2 (0.79) SLC6A2SLC6A4SLC6A3
SCHEMBL3976036 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3974033 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3952071 0.87 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3972245 0.86 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3979432 0.86 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3974707 0.86 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL13712878 0.85 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3
SCHEMBL3952052 0.85 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3
SCHEMBL4626679 0.84 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2009-09-10 US disclosed
US-7550485-B2 Substituted N-heterocycle derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-7550456-B2 Substituted aryl cycloalkanoyl derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-7524846-B2 Arylalkyl- and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH (US) 2009-04-28 US disclosed
US-7491723-B2 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2009-02-17 US disclosed
US-7419980-B2 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2008-09-02 US disclosed
US-7402698-B2 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use WYETH (US) 2008-07-22 US disclosed
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-26 US disclosed
US-7365076-B2 Substituted aryl cycloalkanol derivatives and methods of their use WYETH (US) 2008-04-29 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-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS SLC6A2 53/4885SLC6A4 38/4885SLC6A3 49/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA SLC6A2 71/4885SLC6A4 44/4885SLC6A3 116/4885

“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.