SCHEMBL3570982

SCHEMBL3570982

CCCCC1(CNCc2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL15300376 0.74 SLC6A4 (0.38) ALDH1A1KMT2A
SCHEMBL3573052 0.70 ALDH1A1 (0.39) OPRM1OPRL1ALDH1A1MEN1KMT2A
SCHEMBL3218469 0.70 ALDH1A1 (0.36) OPRM1OPRL1ALDH1A1MAOAMEN1
SCHEMBL3570981 0.69 CSNK1E (0.40) OPRM1OPRL1ALDH1A1MAOAMEN1
SCHEMBL5881047 0.69 OPRM1 (0.54) OPRM1OPRL1ALDH1A1KDM4EMAPT
SCHEMBL25869368 0.68 MEN1 (0.47) OPRM1OPRL1MAPTMAOAMEN1
SCHEMBL12346125 0.68 KMT2A (0.35) OPRM1OPRL1ALDH1A1KMT2A
SCHEMBL3432660 0.68 OPRM1 (0.60) OPRM1OPRL1ALDH1A1KDM4EMAPT
SCHEMBL20073869 0.67
SCHEMBL3566912 0.67 KMT2A (0.36) ALDH1A1KMT2A

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
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 EP disclosed
US-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US disclosed
EP-2121689-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-11-25 EP disclosed
WO-2008101659-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 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-20100048554-A1 Spirocyclic Cyclohexane Compounds OPRL1, OPRD1, OPRK1 OPRM1 4/4885HTR1A 158/4885HTR7 1743/4885

“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.