SCHEMBL311948

SCHEMBL311948

Fc1ccccc1CN(c1ccc2sccc2c1)C1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.72
SLC6A3 Q01959 17/20 0.72
SLC6A4 P31645 16/20 0.72
NOS2 P35228 1/20 0.40
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
Trifluoroacetic Acid SCHEMBL312819 0.92 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4NOS2
SCHEMBL324542 0.87 SLC6A4 (0.72) SLC6A2SLC6A3SLC6A4NOS2PGR
SCHEMBL313271 0.87 SLC6A2 (0.72) SLC6A2SLC6A3SLC6A4NOS2PGR
SCHEMBL312771 0.86 SLC6A2 (0.74) SLC6A2SLC6A3SLC6A4NOS2
SCHEMBL312185 0.84 SLC6A2 (0.69) SLC6A2SLC6A3SLC6A4NOS2PGR
SCHEMBL312652 0.84 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL312114 0.83 SLC6A2 (0.81) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL312782 0.83 SLC6A2 (0.98) SLC6A2SLC6A3SLC6A4CYP2D6CYP2C9
SCHEMBL313795 0.82 SLC6A2 (0.79) SLC6A2SLC6A3SLC6A4
SCHEMBL313473 0.81 SLC6A2 (0.81) SLC6A2SLC6A3SLC6A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 WO disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 US disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 US disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 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-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF MAOB, ADORA2B, HTR1B SLC6A2 8/4885SLC6A3 28/4885SLC6A4 33/4885

“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.