SCHEMBL10083997

SCHEMBL10083997

O=C(N[C@H](CN1CCCC1)c1ccccc1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.49
HSD11B1 P28845 11/20 0.49
UTS2R Q9UKP6 4/20 0.48
HDAC4 P56524 1/20 0.44
TRPA1 O75762 2/20 0.43

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
SCHEMBL15380224 1.00 NTSR1 (0.49) NTSR1HSD11B1UTS2RHDAC4TRPA1
SCHEMBL15385492 0.92 HSD11B1 (0.50) HSD11B1HDAC4
SCHEMBL435831 0.92 HSD11B1 (0.50) HSD11B1HDAC4
Hydrochloric Acid SCHEMBL434246 0.91 HSD11B1 (0.49) HSD11B1HDAC4
Hydrochloric Acid SCHEMBL15380695 0.91 HSD11B1 (0.49) HSD11B1HDAC4
SCHEMBL15380884 0.89 ALDH1A1 (0.43) NTSR1HSD11B1
SCHEMBL461186 0.89 ALDH1A1 (0.43) NTSR1HSD11B1
SCHEMBL10083337 0.87 MEN1 (0.52) HSD11B1HDAC4
SCHEMBL15385499 0.87 MEN1 (0.52) HSD11B1HDAC4
SCHEMBL431718 0.87 RPS6KB1 (0.44) NTSR1HSD11B1

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-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US claimed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US claimed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
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
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 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 NTSR1 34/4885HSD11B1 1415/4885UTS2R 721/4885

“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.