SCHEMBL3433063

SCHEMBL3433063

CC(Cc1c[nH]c2ccccc12)CC1(O)CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.56
OPRM1 P35372 10/20 0.56
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
ADRB1 P08588 1/20 0.45
ADRA2A P08913 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1E P28566 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 1/20 0.45

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
SCHEMBL3433060 1.00 OPRL1 (0.56) OPRL1OPRM1KDM4EMAPTAPAF1
SCHEMBL3405972 0.80 OPRL1 (0.60) OPRL1OPRM1KDM4EHTR1AHTR2A
SCHEMBL3405263 0.76 OPRM1 (0.47) OPRL1OPRM1OPRK1
SCHEMBL3405264 0.76 OPRM1 (0.47) OPRL1OPRM1OPRK1
SCHEMBL5164684 0.75 OPRL1 (0.70) OPRL1OPRM1KDM4EMAPTAPAF1
SCHEMBL12918432 0.75 OPRL1 (0.70) OPRL1OPRM1KDM4EMAPTAPAF1
Hydrochloric Acid SCHEMBL5164066 0.74 OPRL1 (0.69) OPRL1OPRM1KDM4EMAPTAPAF1
SCHEMBL2378536 0.74 OPRL1 (0.49) OPRL1OPRM1KDM4EMAPTAPAF1
SCHEMBL5341928 0.74 OPRL1 (0.61) OPRL1OPRM1KDM4EMAPTAPAF1
Hydrochloric Acid SCHEMBL2382884 0.74 OPRL1 (0.48) OPRL1OPRM1KDM4EMAPTAPAF1

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
CN-102083790-B Spiro (5.5) undecane derivatives GRUENENTHAL GMBH 2014-03-05 CN disclosed
US-8288430-B2 Spiro(5.5)undecane derivatives GRUNENTHAL GMBH (DE) 2012-10-16 US disclosed
EP-2257526-B1 SPIRO(5.5)UNDECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-12-14 EP disclosed
CN-102083790-A Spiro (5.5) undecane derivatives GRUENENTHAL GMBH 2011-06-01 CN disclosed
EP-2257526-A1 SPIRO(5.5)UNDECANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
WO-2009118169-A1 SPIRO(5.5)UNDECANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO disclosed
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES OPRL1, OPRD1, OPRM1 OPRL1 1/4885OPRM1 3/4885KDM4E 3133/4885

“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.