SCHEMBL2404585

SCHEMBL2404585

O=C(NCc1ccccc1)C1=NOC2(CCNCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGA5 P08648 1/20 0.41
MC4R P32245 1/20 0.41
MMP13 P45452 1/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 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
Hydrochloric Acid SCHEMBL2401223 0.99 ATM (0.44) ATMHPGDSMN1; SMN2ITGB3ITGB1
SCHEMBL1640928 0.88 RAB9A (0.44) HPGDSMN1; SMN2KMT2AALDH1A1HDAC2
SCHEMBL5115334 0.88 ALDH1A1 (0.45) HPGDSMN1; SMN2GAAKMT2ACYP1A2
Hydrochloric Acid SCHEMBL5116601 0.87 HPGD (0.44) HPGDSMN1; SMN2GAAKMT2ACYP1A2
SCHEMBL12825008 0.85 EPHX2 (0.47) KMT2ACYP1A2CYP2C19HDAC8HDAC6
SCHEMBL12825219 0.85 TACR1 (0.43) SMN1; SMN2
Hydrochloric Acid SCHEMBL5120599 0.84 TACR1 (0.43) SMN1; SMN2
Ammonia Solution, Strong SCHEMBL5113991 0.84 TACR1 (0.43) SMN1; SMN2
Ammonia Solution, Strong SCHEMBL5121432 0.84 EPHX2 (0.47) KMT2ACYP1A2CYP2C19HDAC8HDAC6
Hydrochloric Acid SCHEMBL5119487 0.84 EPHX2 (0.46) KMT2ACYP1A2CYP2C19HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US disclosed
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 ATM 4126/4885HPGD 679/4885SMN1; SMN2 1584/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ATM 3927/4885HPGD 443/4885SMN1; SMN2 1407/4885

“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.