SCHEMBL10108883

SCHEMBL10108883

c1ccc(CCN(c2ccc3c(c2)CCN3)C2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.59
SLC6A4 P31645 13/20 0.59
SLC6A3 Q01959 12/20 0.59
CACNA1B Q00975 1/20 0.42
TACR1 P25103 1/20 0.40
NPY2R P49146 1/20 0.38
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL10108884 0.88 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CACNA1B
SCHEMBL13676877 0.80 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3TACR1ACHE
SCHEMBL13676839 0.77 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL13676841 0.77 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CACNA1BACHE
SCHEMBL989955 0.76 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CACNA1BTACR1
SCHEMBL10108805 0.76 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3NPY2RACHE
SCHEMBL990020 0.76 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CACNA1B
SCHEMBL13676867 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL10108872 0.75 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3
SCHEMBL312487 0.74 SLC6A2 (1.00) 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 2 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-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.