SCHEMBL2210139

SCHEMBL2210139

COc1cccc(C2=NOC3(CCC(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
STAT1 P42224 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL2210288 0.87 TRPV1 (0.44) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL2205569 0.87 TRPV1 (0.44) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL2205560 0.87 TRPV1 (0.44) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL2208352 0.87 MAPK10 (0.47) MAPK10ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL5012981 0.85 TP53 (0.46) MAPK10ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL5129563 0.85 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPTGAATSHR
SCHEMBL2207491 0.84 GAA (0.56) MAPK10ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2209182 0.82 MAPK10 (0.44) MAPK10ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL5012811 0.82 TP53 (0.42) MAPK10ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL2211388 0.82 KMT2A (0.44) MAPK10ALDH1A1SMN1; SMN2MAPTGAA

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 3334/4885ALDH1A1 218/4885SMN1; SMN2 4704/4885

“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.