SCHEMBL1457656

SCHEMBL1457656

COc1ccc(NC(=O)N2CCC3(CC2)CC(C(=O)NCc2ccc(C)o2)=NO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.48
CYP2D6 P10635 3/20 0.48
TSHR P16473 3/20 0.48
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.44
CYP3A4 P08684 6/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
USP2 O75604 3/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 2/20 0.43
HIF1A Q16665 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL1457289 0.90 ALDH1A1 (0.39) TSHRMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL2399119 0.88 POLB (0.44) CYP1A2CYP2D6TSHRKMT2ACYP3A4
SCHEMBL1457086 0.87 TRPM8 (0.45) MAPT
SCHEMBL1456996 0.86 NPC1 (0.42) CYP2D6TSHRKMT2AMAPTCYP3A4
SCHEMBL1457488 0.81 CYP1A2 (0.46) CYP1A2CYP2D6TSHRKMT2AMAPT
SCHEMBL5116462 0.81 GPR119 (0.52) KMT2AMAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1457327 0.79 HPGD (0.47) TSHRKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1457435 0.77 HPGD (0.49) KMT2AALDH1A1SMN1; SMN2MAPK1HPGD
SCHEMBL2400827 0.77 KMT2A (0.40) TSHRKMT2AMAPTCYP3A4ALDH1A1
SCHEMBL5112784 0.76 MAPT (0.39) CYP1A2TSHRKMT2AMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP claimed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
EP-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP claimed
WO-2006122769-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP disclosed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
EP-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP disclosed
WO-2006122769-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2006-11-23 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 CYP1A2 138/4885CYP2D6 14/4885TSHR 2912/4885

“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.