SCHEMBL2400342

SCHEMBL2400342

O=C(c1cccnc1Cl)N1CCC2(CC=NO2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CYP2C19 P33261 2/20 0.47
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CG P48736 1/20 0.38
CYP46A1 Q9Y6A2 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 2/20 0.37
PARP1 P09874 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL15309143 0.84 RXFP1 (0.51) POLBCYP2C19LMNAALDH1A1KDM4E
SCHEMBL2401414 0.82 GAA (0.48) ALDH1A1GAA
SCHEMBL2400992 0.80 TDP1 (0.46) POLBCYP2C19ALDH1A1CYP46A1CYP3A4
SCHEMBL2400039 0.80 HPGD (0.44) ALDH1A1HPGD
SCHEMBL15309126 0.78 POLB (0.53) POLBCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL2400887 0.77 AVPR1A (0.54) POLBLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL15309109 0.76 NPSR1 (0.60) LMNASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL2401901 0.76 CYP3A4 (0.52) CYP2C19SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL855339 0.75 POLB (0.60) POLBCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL30073359 0.75 POLB (0.60) POLBCYP2C19LMNASMN1; SMN2ALDH1A1

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 2 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 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

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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 POLB 1636/4885CYP2C19 77/4885LMNA 1973/4885

“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.