SCHEMBL337979

SCHEMBL337979

O=C(O)C[C@@H]1CCC[C@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.41
SLC6A11 P48066 5/20 0.41
SLC6A13 Q9NSD5 5/20 0.41
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ANPEP P15144 2/20 0.35
ENPEP Q07075 1/20 0.35
HSD11B1 P28845 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL337672 1.00 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10086694 1.00 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL337617 0.86 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL337618 0.86 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10086732 0.86 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL652967 0.86 SLC6A12 (0.46) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL12345487 0.86 SLC6A12 (0.46) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL604906 0.84 SLC6A12 (0.42) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL177588 0.81
SCHEMBL16787716 0.81 TLR4 (0.36) ALDH1A1SLC1A3SLC1A2SLC1A1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097637-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
EP-2185513-B1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
EP-2185513-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2009-02-12 US disclosed
WO-2009019174-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO 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-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR5A SLC6A12 1882/4885SLC6A11 838/4885SLC6A13 512/4885

“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.