SCHEMBL9967

SCHEMBL9967

CCc1ccc(CCN2CC[C@]3(CC[C@@H](O)CC3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.44
SPHK1 Q9NYA1 1/20 0.42
OPRM1 P35372 6/20 0.40
OPRL1 P41146 2/20 0.40
KMT2A Q03164 1/20 0.38
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
OPRD1 P41143 1/20 0.34
LMNA P02545 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 2/20 0.33
HSD11B1 P28845 2/20 0.33
S1PR1 P21453 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
SCHEMBL4735 1.00 CCR3 (0.44) CCR3SPHK1OPRM1OPRL1KMT2A
SCHEMBL12701761 1.00 CCR3 (0.44) CCR3SPHK1OPRM1OPRL1KMT2A
SCHEMBL10291 0.87 CCR3 (0.55) CCR3OPRM1KMT2ASIGMAR1CYP3A4
SCHEMBL10292 0.87 CCR3 (0.55) CCR3OPRM1KMT2ASIGMAR1CYP3A4
SCHEMBL12701792 0.87 CCR3 (0.55) CCR3OPRM1KMT2ASIGMAR1CYP3A4
SCHEMBL10814 0.86 SIGMAR1 (0.47) CCR3KMT2ASIGMAR1HRH3HSD11B1
SCHEMBL12701636 0.86 SIGMAR1 (0.47) CCR3KMT2ASIGMAR1HRH3HSD11B1
SCHEMBL10813 0.86 SIGMAR1 (0.47) CCR3KMT2ASIGMAR1HRH3HSD11B1
SCHEMBL10262 0.84 CCR3 (0.46) CCR3OPRM1OPRL1KMT2ADDB1
SCHEMBL10840 0.81 CCR3 (0.42) CCR3OPRM1OPRL1SIGMAR1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US claimed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP claimed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US claimed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO claimed
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 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-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE CCR3 2793/4885SPHK1 523/4885OPRM1 4101/4885

“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.