SCHEMBL15380757

SCHEMBL15380757

N#Cc1cccc(COc2cccc([C@@H](CN3CCCC3)NC(=O)C3(c4ccc5oc(=O)[nH]c5c4)CC3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.38
MAOB P27338 4/20 0.36
MAOA P21397 2/20 0.36
GPR34 Q9UPC5 1/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GRM5 P41594 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
SMPD1 P17405 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL10083367 1.00 MET (0.38) METMAOBMAOAGPR34FFAR1
SCHEMBL435201 0.94 SMPD1 (0.40) MAOBMAOAGPR34NOS3NOS1
SCHEMBL435202 0.94 SMPD1 (0.40) MAOBMAOAGPR34NOS3NOS1
SCHEMBL433094 0.92 NOS3 (0.41) NOS3NOS1NOS2GRM5
SCHEMBL15380780 0.92 NOS3 (0.41) NOS3NOS1NOS2GRM5
SCHEMBL433873 0.91 MAOA (0.37) MAOBMAOA
SCHEMBL433872 0.91 MAOA (0.37) MAOBMAOA
SCHEMBL434660 0.84 ROCK2 (0.45)
SCHEMBL434659 0.84 ROCK2 (0.45)
SCHEMBL433022 0.83 TRPV1 (0.37)

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 6 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-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

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 MET 1245/4885MAOB 1814/4885MAOA 2043/4885

“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.