SCHEMBL485141

SCHEMBL485141

CN(C)C1(c2ccc(F)cc2)CCC2(CCN(C(=O)c3ccc4c(c3)C(N(C(=O)c3ccccc3Cl)C3CC3)CC4)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.41
MAPK1 P28482 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
SLC9A1 P19634 1/20 0.36
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PDK2 Q15119 1/20 0.34
CYP2D6 P10635 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
SCHEMBL485044 0.92 HSD11B1 (0.42) HSD11B1MAPK1OPRM1OPRL1LMNA
SCHEMBL484465 0.88 CYP3A4 (0.44) HSD11B1MAPK1LMNAKMT2ACYP2D6
SCHEMBL485749 0.85 HSD11B1 (0.43) HSD11B1MAPK1SLC9A1KMT2ACYP2D6
SCHEMBL484380 0.85 HSD11B1 (0.40) HSD11B1MAPK1SLC9A1CYP2D6
SCHEMBL484240 0.84 ALDH1A1 (0.42) HSD11B1MAPK1OPRM1OPRL1
SCHEMBL485180 0.82 KMT2A (0.41) HSD11B1MAPK1OPRM1OPRL1KMT2A
SCHEMBL2816003 0.81 CYP3A4 (0.47) HSD11B1MAPK1LMNAKMT2ACYP2D6
SCHEMBL484271 0.81 ALDH1A1 (0.45) HSD11B1MAPK1OPRM1OPRL1KMT2A
SCHEMBL484295 0.81 BDKRB1 (0.48) MAPK1KMT2ACYP2D6
SCHEMBL486049 0.80 HSD11B1 (0.39) HSD11B1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885MAPK1 1001/4885OPRM1 799/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885MAPK1 1001/4885OPRM1 799/4885

“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.