SCHEMBL6045903

SCHEMBL6045903

O=C(c1ccncc1)N1CCCCC1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.76
ALDH1A1 P00352 3/20 0.76
TSHR P16473 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
RECQL P46063 1/20 0.60
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59
NAMPT P43490 2/20 0.58
MAPK1 P28482 1/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL12490113 0.98 HPGD (0.72) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL21987038 0.93 HPGD (0.71) HPGDALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL1597604 0.87 TSHR (0.64) HPGDALDH1A1TSHRKDM4ETP53
SCHEMBL27479149 0.87 HPGD (1.00) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL7132525 0.87 HPGD (1.00) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL10838586 0.87 HPGD (0.62) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL2677744 0.85 KDM4E (0.57) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL24092731 0.84 HPGD (0.59) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL10721733 0.84 HPGD (0.95) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL27947458 0.83 HPGD (0.53) HPGDALDH1A1TSHRRECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022235091-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF 엠비디 주식회사 2022-11-10 WO claimed
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-15 US disclosed
WO-2022235091-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF 엠비디 주식회사 2022-11-10 WO disclosed
US-10793556-B2 8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives GRUENENTHAL GMBH (DE) 2020-10-06 US disclosed
CN-108997311-A Bis- aryl methylene -4- the piperidones of 3,5- and preparation method thereof that asymmetric 4- pyridine replaces 滨州医学院 2018-12-14 CN disclosed
US-20170209441-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF UNIVERSITY OF DELHI (IN) 2017-07-27 US disclosed
US-9567316-B2 Aminoquinoline derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2017-02-14 US disclosed
US-20150023930-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2015-01-22 US disclosed
EP-2343069-A1 Heterocyclic aspartyl protease inhibitors Schering Corporation (US) 2011-07-13 EP disclosed
EP-2335701-A1 Heterocyclic aspartyl protease inhibitors Schering Corporation (US) 2011-06-22 EP disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
WO-2006123257-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1, 2 , 4]0XADIAZ0L-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO 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 (5 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-20150023930-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF LRRK2, NLN, AADAT HPGD 879/4885ALDH1A1 2094/4885TSHR 3722/4885
US-10793556-B2 8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 HPGD 752/4885ALDH1A1 250/4885TSHR 2683/4885
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 HPGD 752/4885ALDH1A1 250/4885TSHR 2683/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 HPGD 797/4885ALDH1A1 2017/4885TSHR 1309/4885
US-20170209441-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF LRRK2, NLRP3, AADAT HPGD 1667/4885ALDH1A1 1990/4885TSHR 3618/4885

“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.