SCHEMBL5520738

SCHEMBL5520738

CN(Cc1ccccc1)CC1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
TACR1 P25103 1/20 0.45
GPR119 Q8TDV5 4/20 0.45
STS P08842 1/20 0.45
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
ACHE P22303 1/20 0.42
PTPRB P23467 1/20 0.42
PTPN11 Q06124 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL16101520 0.89 OPRD1 (0.48) JAK2JAK1OPRD1OPRK1TSHR
SCHEMBL5523771 0.86 JAK2 (0.48) JAK2JAK1OPRD1OPRK1TSHR
SCHEMBL13277303 0.84 OPRD1 (0.45) JAK2JAK1OPRD1OPRK1TSHR
SCHEMBL8649196 0.84 OPRD1 (0.45) JAK2JAK1OPRD1OPRK1TSHR
SCHEMBL27655696 0.84 NAMPT (0.43) OPRD1OPRK1KDM4EACHE
SCHEMBL27313194 0.83 OPRD1 (0.47) JAK2JAK1OPRD1OPRK1TSHR
SCHEMBL12492182 0.83 OPRD1 (0.43) JAK2JAK1OPRD1OPRK1TSHR
SCHEMBL2951728 0.83 OPRD1 (0.53) OPRD1OPRK1TSHRALOX15TACR1
SCHEMBL12493077 0.81 ATM (0.45) JAK2JAK1OPRD1OPRK1TSHR
SCHEMBL22834092 0.81 OPRD1 (0.51) OPRD1OPRK1TSHRALOX15TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
EP-1694675-A2 HYDRONOPOL DERIVATIVES AS AGONISTS ON HUMAN ORLI RECEPTORS Solvay Pharmaceuticals GmbH (DE) 2006-08-30 EP disclosed
WO-2005058890-A2 HYDRONOPOL DERIVATIVES AS AGONISTS ON HUMAN ORL1 RECEPTORS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-06-30 WO disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 US disclosed
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 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 (2 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK JAK2 2719/4885JAK1 1925/4885OPRD1 4406/4885
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 JAK2 1509/4885JAK1 2164/4885OPRD1 4/4885

“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.