SCHEMBL2209182

SCHEMBL2209182

COc1cccc(C2=NOC3(CCC(C(=O)Nc4ccc5[nH]ccc5c4)CC3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.44
EP300 Q09472 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
ABL1 P00519 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL2207491 0.83 GAA (0.56) MAPK10SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL2210139 0.82 MAPK10 (0.47) MAPK10SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL2208352 0.82 MAPK10 (0.47) MAPK10SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL2211286 0.78 VCP (0.45) MAPK10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL2208848 0.74 ALDH1A1 (0.48) MAPK10CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5014474 0.72 TDP1 (0.47) MAPK10SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL5124433 0.72 SMN1; SMN2 (0.61) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL5014439 0.71 TDP1 (0.47) MAPK10SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL5130656 0.71 CYP2D6 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL2205004 0.71 ALDH1A1 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2C19ALDH1A1

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-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US claimed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
EP-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO claimed
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
EP-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 MAPK10 3334/4885SMN1; SMN2 4704/4885CYP1A2 149/4885

“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.