SCHEMBL485334

SCHEMBL485334

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)c5ccc(F)cc5F)CC4)C3)cc21)c1sccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.37
HSD11B1 P28845 1/20 0.35
GPR183 P32249 3/20 0.35
PDE10A Q9Y233 1/20 0.35
NPC1 O15118 1/20 0.34
CYP3A4 P08684 6/20 0.34
TSHR P16473 3/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
FASN P49327 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 2/20 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
SCHEMBL485175 0.95 HSD11B1 (0.41) NAMPTHSD11B1GPR183NPC1CYP3A4
SCHEMBL484382 0.87 ALDH1A1 (0.42) NAMPTHSD11B1PDE10ACYP3A4TSHR
SCHEMBL2815775 0.87 CYP2D6 (0.38) NAMPTCYP3A4TSHRUSP2CYP1A2
SCHEMBL2818960 0.85 MTNR1B (0.35) TSHR
SCHEMBL2816762 0.85 NAMPT (0.41) NAMPT
SCHEMBL2815762 0.85 CYP3A4 (0.41) HSD11B1CYP3A4TSHRUSP2CYP1A2
SCHEMBL2817929 0.84 MAPK1 (0.35) NAMPTHSD11B1GPR183PDE10ACYP3A4
SCHEMBL484743 0.83 ALDH1A1 (0.43) HSD11B1PDE10ACYP3A4USP2CYP1A2
SCHEMBL2820560 0.82 AR (0.34)
SCHEMBL484232 0.82 CYP3A4 (0.42) CYP3A4TSHRCYP1A2CYP2C19CYP2D6

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 NAMPT 2232/4885HSD11B1 1789/4885GPR183 326/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN NAMPT 2232/4885HSD11B1 1789/4885GPR183 326/4885

“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.