SCHEMBL10317879

SCHEMBL10317879

O=C(O)N1CC=C(c2ncccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALOX15 P16050 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 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
SCHEMBL18009528 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL12100560 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL30097493 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL23865986 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL18113625 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL28966541 0.79 TRPV1 (0.45) ALDH1A1SMN1; SMN2TRPV1
SCHEMBL23865984 0.79 GRM5 (0.48) ALDH1A1SMN1; SMN2PPARGPPARAMAPT
SCHEMBL28564444 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL14655987 0.78 KDM4E (0.53) ALDH1A1SMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL2640481 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ALOX15NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
WO-2013083741-A1 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
EP-2479165-A1 GLYCINE COMPOUND Astellas Pharma Inc. (JP) 2012-07-25 EP disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB ALDH1A1 2529/4885SMN1; SMN2 2059/4885ALOX15 1096/4885
US-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 ALDH1A1 545/4885SMN1; SMN2 2585/4885ALOX15 3/4885

“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.