SCHEMBL6976893

SCHEMBL6976893

Cc1ccc(S(=O)(=O)OCCC#Cc2cccc(N)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.42
CA1 P00915 6/20 0.42
CA9 Q16790 6/20 0.42
CA2 P00918 5/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
F2 P00734 1/20 0.36
FFAR1 O14842 1/20 0.34
CYP1A2 P05177 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 0.34
CYP24A1 Q07973 2/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CA7 P43166 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
SCHEMBL6880345 0.84 MMP3 (0.45) CA12CA1CA9CA2MMP2
SCHEMBL9672034 0.83 CA12 (0.47) CA12CA1CA9CA2MMP2
SCHEMBL5888849 0.81 CA12 (0.45) CA12CA1CA9CA2DRD2
SCHEMBL18530397 0.79 CTSG (0.40) CA12CA1CA9CA2CYP1A2
SCHEMBL14997971 0.78 CA1 (0.44) CA12CA1CA9CA2CYP1A2
SCHEMBL18934373 0.78 CA12 (0.46) CA12CA1CA9CA2MMP2
SCHEMBL12143087 0.77 CA12 (0.42) CA12CA1CA9CA2DRD2
SCHEMBL9662518 0.77 KCNH2 (0.45) CA12CA1CA9CA2MMP2
SCHEMBL8370835 0.77 CA12 (0.41) CA12CA1CA9CA2CYP1A2
SCHEMBL11138066 0.75 CA12 (0.42) CA12CA1CA9CA2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105133-A1 4-Substituted piperidine analogs and their use as subtype selective NMDA receptor, antagonists BIGGE CHRISTOPHER F (US) 2003-06-05 US disclosed
EP-0869791-B1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2003-05-07 EP disclosed
US-6448270-B1 BICYCLIC HETEROARYL ACETYLENES; NEUROPROTECTIVE AGENTS; STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMINOGLYCOSIDE ANTIBIOTIC INDUCED HEARING LOSS, MIGRAINES, CHRONIC PAIN, GLAUCOMA WARNER-LAMBERT COMPANY 2002-09-10 US disclosed
US-6130234-A 4-substituted piperidine analogs and their use as subtype selective NMDA receptor antagonists WARNER-LAMBERT COMPANY (US) 2000-10-10 US disclosed
EP-0869791-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-04-28 EP disclosed
EP-0869791-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023214-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 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-20030105133-A1 4-Substituted piperidine analogs and their use as subtype selective NMDA receptor, antagonists GRIN3B, OPRM1, GRIN3A CA12 4002/4885CA1 3261/4885CA9 3965/4885

“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.