SCHEMBL10083005

SCHEMBL10083005

O=C(O)C1(c2ccc3[nH]c(=O)ccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
F11 P03951 1/20 0.46
CA1 P00915 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
APP P05067 5/20 0.39

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
SCHEMBL10083007 0.91 CA12 (0.42) CA12CA9F11CA1CA3
SCHEMBL1465074 0.78 SLC6A2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10083349 0.76 APP (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12508692 0.76 CA12 (0.54) CA12CA9F11CA1CA3
SCHEMBL349729 0.74 AKR1C1 (0.53) APPCYP2C19AKR1C1AKR1C3AKR1C2
SCHEMBL10083310 0.73 ROCK2 (0.49) CYP2D6
SCHEMBL14790320 0.71 AKR1C3 (0.42) APPCYP2C19AKR1C1AKR1C3AKR1C2
SCHEMBL1465045 0.71 HSP90AA1 (0.46) APPCYP2C19AKR1C1AKR1C3AKR1C2
SCHEMBL29356704 0.70 CA12 (0.55) CA12CA9F11CA1CA3
SCHEMBL1050811 0.70 CA12 (0.55) CA12CA9F11CA1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 CA12 4379/4885CA9 4488/4885F11 1660/4885

“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.