SCHEMBL6923690

SCHEMBL6923690

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)OCl

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.62
TRPM8 Q7Z2W7 5/20 0.51
TRPA1 O75762 2/20 0.47
TRPV1 Q8NER1 5/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP19A1 P11511 2/20 0.37

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
SCHEMBL1238085 1.00 EPHX1 (0.62) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL2057748 0.85 EPHX1 (0.75) EPHX1TRPM8TRPA1TRPV1
SCHEMBL6128506 0.85 EPHX1 (0.75) EPHX1TRPM8TRPA1TRPV1
SCHEMBL12381600 0.85 EPHX1 (0.75) EPHX1TRPM8TRPA1TRPV1
SCHEMBL10034576 0.85 EPHX1 (0.75) EPHX1TRPM8TRPA1TRPV1
SCHEMBL291653 0.85 EPHX1 (0.75) EPHX1TRPM8TRPA1TRPV1
SCHEMBL10001728 0.85 EPHX1 (0.75) EPHX1TRPM8TRPA1TRPV1
SCHEMBL21350183 0.84 EPHX1 (0.64) EPHX1TRPM8TRPA1TRPV1
SCHEMBL13043160 0.84 EPHX1 (0.64) EPHX1TRPM8TRPA1TRPV1
SCHEMBL1439243 0.84 EPHX1 (0.64) EPHX1TRPM8TRPA1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-05-12 US disclosed
WO-2011044134-A1 EPIMINOCYCLOALKYL(B)INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-04-14 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-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF HTR6, HTR3B, HTR1B EPHX1 208/4885TRPM8 3646/4885TRPA1 830/4885

“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.