SCHEMBL7150608

SCHEMBL7150608

O=C(O)C1CC[C@@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.59
SLC1A2 P43004 3/20 0.48
SLC1A1 P43005 2/20 0.48
GABRR2 P28476 1/20 0.48
PEPD P12955 1/20 0.46
CYP2D6 P10635 2/20 0.44
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C9 P11712 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
SCHEMBL352246 1.00 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL2135258 1.00 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL20346208 1.00 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL709492 1.00 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL6938207 1.00 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
SCHEMBL339332 1.00 GABRR1 (0.59) GABRR1SLC1A2SLC1A1GABRR2PEPD
Hydrochloric Acid SCHEMBL8452138 0.96 GABRR1 (0.56) GABRR1SLC1A2SLC1A1GABRR2PEPD
Hydrochloric Acid SCHEMBL8942934 0.96 GABRR1 (0.56) GABRR1SLC1A2SLC1A1GABRR2PEPD
Hydrochloric Acid SCHEMBL8942927 0.96 GABRR1 (0.56) GABRR1SLC1A2SLC1A1GABRR2PEPD
Hydrochloric Acid SCHEMBL8452135 0.96 GABRR1 (0.56) GABRR1SLC1A2SLC1A1GABRR2PEPD

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-20180186822-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITION AND USE THEREOF Syn-Nat Products Enterprise LLC 2018-07-05 US disclosed
EP-3297624-A1 A PHARMACEUTICAL CO-CRYSTAL AND USE THEREOF Syn-Nat Products Enterprise LLC (US) 2018-03-28 EP disclosed
WO-2016187191-A1 A PHARMACEUTICAL CO-CRYSTAL AND USE THEREOF Medoc Pharmaceutical Co., Ltd. (CN) 2016-11-24 WO disclosed
EP-1357910-A2 METHOD FOR PREVENTING AND TREATING VISCERAL PAIN AND GASTROINTESTINAL DISORDERS Warner-Lambert Company LLC (US) 2003-11-05 EP disclosed
WO-2002058680-A2 USE OF BICYLIC AMINO ACIDS FOR PREVENTING AND TREATING VISCERAL PAIN AND GASTROINTESTINAL DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2002-08-01 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-20180186822-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITION AND USE THEREOF CXCR3, CCR3, CCR5 GABRR1 4159/4885SLC1A2 2654/4885SLC1A1 1636/4885

“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.