SCHEMBL6873757

SCHEMBL6873757

c1ccc(C2CC3(CO3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 2/20 0.40
SLC18A3 Q16572 1/20 0.40
TSHR P16473 1/20 0.39
TACR1 P25103 1/20 0.39
TRPA1 O75762 1/20 0.39
KDM1A O60341 7/20 0.39
MAOA P21397 7/20 0.39
MAOB P27338 7/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TMEM97 Q5BJF2 1/20 0.37
SCD5 Q86SK9 1/20 0.36

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
SCHEMBL6883069 1.00 MEN1 (0.43) MEN1CYP2C19KMT2ASIGMAR1SLC18A3
SCHEMBL6873760 1.00 MEN1 (0.43) MEN1CYP2C19KMT2ASIGMAR1SLC18A3
SCHEMBL2527130 0.78 SLC18A3 (0.47) MEN1CYP2C19KMT2ASIGMAR1SLC18A3
SCHEMBL15652887 0.74 TACR1 (0.51) SIGMAR1SLC18A3TSHRTACR1TRPA1
SCHEMBL19852548 0.72 TACR1 (0.47) MEN1CYP2C19KMT2ASIGMAR1SLC18A3
SCHEMBL1085761 0.71 MAOB (0.43) SIGMAR1SLC18A3TRPA1KDM1AMAOA
SCHEMBL18827060 0.71 TRPA1 (0.46) MEN1KMT2ASIGMAR1SLC18A3TACR1
SCHEMBL8212527 0.70 TSHR (0.52) MEN1CYP2C19KMT2ASIGMAR1SLC18A3
SCHEMBL18422847 0.70 TACR1 (0.51) KMT2ASIGMAR1SLC18A3TACR1KDM1A
SCHEMBL8073204 0.68 TACR1 (0.46) MEN1CYP2C19KMT2ASIGMAR1SLC18A3

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
EP-1278728-B1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
EP-1278728-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 EP disclosed
US-6451819-B2 PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 US disclosed
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers HOFFMANN-LA ROCHE INC. 2001-11-29 US disclosed
WO-2001081303-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREAMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 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-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers GRIN1, GRM1, GRIN2B MEN1 1877/4885CYP2C19 2545/4885KMT2A 303/4885

“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.