SCHEMBL5531080

SCHEMBL5531080

O=[C]N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
PKM P14618 2/20 0.58
KDM4E B2RXH2 4/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
DRD2 P14416 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
NFKB1 P19838 1/20 0.58
SLC6A2 P23975 1/20 0.58
MAPK1 P28482 1/20 0.58
SLC6A4 P31645 1/20 0.58
CYP2C19 P33261 1/20 0.58
ADRA1A P35348 1/20 0.58
DRD3 P35462 1/20 0.58
HTR2B P41595 1/20 0.58

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
SCHEMBL108678 0.87 KDM4E (0.70) CYP2D6KDM4EMEN1USP2CYP1A2
SCHEMBL3026991 0.85 KDM4E (0.58) CYP2D6PKMKDM4EMEN1USP2
SCHEMBL19300185 0.83 CYP2D6 (0.63) CYP2D6PKMKDM4EMEN1USP2
SCHEMBL2316901 0.83 CYP2D6 (0.82) CYP2D6KDM4EMEN1USP2CYP1A2
SCHEMBL4753138 0.82 MEN1 (0.66) CYP2D6PKMKDM4EMEN1USP2
SCHEMBL8170046 0.81 KDM4E (0.62) CYP2D6KDM4EMEN1USP2CYP1A2
SCHEMBL8286300 0.80 KDM4E (0.62) CYP2D6KDM4EMEN1USP2CYP1A2
SCHEMBL13062752 0.80 ALDH1A1 (0.64) CYP2D6KDM4EMEN1USP2CYP1A2
SCHEMBL22005473 0.80 KDM4E (0.62) CYP2D6KDM4EMEN1USP2CYP1A2
SCHEMBL19300219 0.80 KDM4E (0.62) CYP2D6KDM4EMEN1USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 US claimed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 US disclosed
US-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 CYP2D6 1625/4885PKM 4801/4885KDM4E 4873/4885

“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.