SCHEMBL2401329

SCHEMBL2401329

O=C(c1ccc2ccccc2c1)N1CCC2(CC=NO2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.53
AKR1C1 Q04828 1/20 0.52
LMNA P02545 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HTT P42858 3/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL15309104 0.81 PKM (0.52) LMNAALDH1A1CA12CA1CA2
SCHEMBL15309177 0.80 HPGD (0.53) HPGDLMNAPOLBCA12CA1
SCHEMBL15309141 0.80 L3MBTL1 (0.46) MEN1KMT2APOLBALDH1A1CA12
SCHEMBL2401901 0.79 CYP3A4 (0.52) TSHRHPGDMEN1KMT2AALDH1A1
SCHEMBL15309116 0.79 POLB (0.60) TSHRHPGDPOLBALDH1A1USP2
SCHEMBL2401240 0.79 HTR1A (0.51) HTR1ADRD4
SCHEMBL2400760 0.79 HPGD (0.46) TSHRHPGDMEN1KMT2APOLB
SCHEMBL2400887 0.78 AVPR1A (0.54) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL15309106 0.78 LMNA (0.51) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL2400087 0.78 MAPT (0.52) LMNAGAAMAPTHTR1A

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 TSHR 1894/4885HPGD 443/4885AKR1C1 1003/4885

“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.