SCHEMBL311980

SCHEMBL311980

Clc1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.81
SLC6A4 P31645 15/20 0.81
SLC6A3 Q01959 15/20 0.81
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TACR1 P25103 2/20 0.44
NOS2 P35228 1/20 0.43
S1PR1 P21453 1/20 0.42

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 SCHEMBL313866 0.91 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL312288 0.90 SLC6A2 (0.79) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL312652 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL312782 0.89 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL10102912 0.87 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3S1PR1
SCHEMBL13672037 0.87 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3S1PR1
SCHEMBL312114 0.87 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3TACR1S1PR1
SCHEMBL13672036 0.87 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3S1PR1
SCHEMBL313365 0.87 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3TACR1S1PR1
SCHEMBL312403 0.85 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3NOS2

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 8/4885SLC6A4 33/4885SLC6A3 28/4885

“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.