SCHEMBL3058008

SCHEMBL3058008

C[C@@H](NC1CCCCC1C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 3/20 0.54
EPHX1 P07099 2/20 0.54
TAAR1 Q96RJ0 1/20 0.53
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
RECQL P46063 1/20 0.50
HPGD P15428 3/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 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
SCHEMBL3052941 1.00 GAA (0.57) GAAL3MBTL1LMNAEPHX1TAAR1
SCHEMBL6517000 1.00 GAA (0.57) GAAL3MBTL1LMNAEPHX1TAAR1
Bromide SCHEMBL6715320 0.98 GAA (0.55) GAAL3MBTL1LMNAEPHX1TAAR1
Hydrochloric Acid SCHEMBL6527528 0.98 GAA (0.55) GAAL3MBTL1LMNAEPHX1TAAR1
Bromide SCHEMBL6524466 0.98 GAA (0.55) GAAL3MBTL1LMNAEPHX1TAAR1
SCHEMBL6719087 0.98 EPHX1 (0.56) GAAL3MBTL1LMNAEPHX1TAAR1
Hydrochloric Acid SCHEMBL6527524 0.98 GAA (0.55) GAAL3MBTL1LMNAEPHX1TAAR1
SCHEMBL6719058 0.97 RECQL (0.54) GAAL3MBTL1LMNAEPHX1TAAR1
Bromide SCHEMBL6715314 0.86 GAA (0.51) GAAL3MBTL1LMNAEPHX1TAAR1
SCHEMBL10305728 0.84 RECQL (0.57) GAAL3MBTL1LMNAEPHX1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536198-B2 Piperidine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
EP-2173714-B9 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-04-10 EP disclosed
EP-2173714-B1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
US-20100222366-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-09-02 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-20100222366-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CXCR1 GAA 4476/4885L3MBTL1 2796/4885LMNA 4211/4885

“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.