Sugi Predict

Sugi Predict / Compounds / SCHEMBL314139

SCHEMBL314139

SCHEMBL314139

O=S(=O)(c1ccccc1)n1ccc2cc(N(Cc3ccccc3)C3CCNCC3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 8/20 0.68
▸ SLC6A4 P31645 8/20 0.68
▸ SLC6A3 Q01959 8/20 0.68
▸ HTR6 P50406 11/20 0.55
▸ DRD3 P35462 2/20 0.55
▸ CYP3A4 P08684 1/20 0.50
▸ DRD2 P14416 1/20 0.48
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43

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 SCHEMBL312498 0.93 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR6DRD3
SCHEMBL28790068 0.85 HTR6 (0.52) SLC6A2SLC6A4SLC6A3HTR6DRD3
SCHEMBL10102903 0.83 HTR6 (0.52) SLC6A2SLC6A4SLC6A3HTR6DRD3
SCHEMBL312121 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL312004 0.80 HTR6 (0.51) SLC6A2SLC6A4SLC6A3HTR6MEN1
SCHEMBL312904 0.78 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3
SCHEMBL18917669 0.77 HTR6 (0.67) HTR6DRD3CYP3A4DRD2POLB
Trifluoroacetic Acid SCHEMBL312300 0.76 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3
SCHEMBL4242082 0.72 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL313005 0.71 SLC6A2 (0.80) 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 8 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 claimed
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.