SCHEMBL485044

SCHEMBL485044

CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CC3)CCC(c3ccc(F)cc3)(N(C)C)CC4)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.42
MAPK1 P28482 2/20 0.40
CYP2D6 P10635 6/20 0.39
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL485141 0.92 HSD11B1 (0.41) HSD11B1MAPK1CYP2D6OPRM1OPRL1
SCHEMBL2816003 0.89 CYP3A4 (0.47) HSD11B1MAPK1CYP2D6CYP3A4CYP1A2
SCHEMBL484273 0.87 HSD11B1 (0.44) HSD11B1MAPK1CYP2D6CYP3A4CYP1A2
SCHEMBL484240 0.86 ALDH1A1 (0.42) HSD11B1MAPK1OPRM1OPRL1ALDH1A1
SCHEMBL485180 0.84 KMT2A (0.41) HSD11B1MAPK1CYP2D6OPRM1OPRL1
SCHEMBL484271 0.83 ALDH1A1 (0.45) HSD11B1MAPK1OPRM1OPRL1KMT2A
SCHEMBL484412 0.81 CYP3A4 (0.49) MAPK1CYP2D6CYP3A4CYP1A2KMT2A
SCHEMBL484855 0.81 HRH3 (0.39) HSD11B1CYP2D6TSHRTRPM8HPGD
SCHEMBL484903 0.81 CYP3A4 (0.53) MAPK1CYP2D6CYP3A4CYP1A2KMT2A
SCHEMBL485006 0.81 CYP2D6 (0.42) MAPK1CYP2D6CYP3A4CYP1A2KMT2A

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 1001/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885MAPK1 1001/4885CYP2D6 1926/4885

“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.