SCHEMBL2402955

SCHEMBL2402955

Cc1cc(C(=O)N2CCC3(CC2)CC(C(=O)NCc2ccccc2)=NO3)c(C)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.42
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ALPL P05186 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL6410188 0.85 MEN1 (0.45) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL2400307 0.82 CYP2D6 (0.44) KMT2AMEN1MAPTKDM4ECYP1A2
SCHEMBL15309153 0.82 HTT (0.52) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL2400949 0.81 CYP3A4 (0.50) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL2404875 0.79 SMN1; SMN2 (0.49) KMT2AMAPTALDH1A1HTTNPSR1
SCHEMBL2399342 0.79 CYP2D6 (0.52) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL2400710 0.78 ATM (0.43) KMT2AMAPTALDH1A1HTTPKM
SCHEMBL2400325 0.78 GPR119 (0.54) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL2400778 0.78 HTR1A (0.52)
SCHEMBL2403591 0.77 MAPK8 (0.57) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 KMT2A 3833/4885MEN1 2802/4885MAPT 4329/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 KMT2A 3636/4885MEN1 2995/4885MAPT 3594/4885

“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.