SCHEMBL6998053

SCHEMBL6998053

CN1CCN(CC(=O)N(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.43
DRD2 P14416 1/20 0.41
PAOX Q6QHF9 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
HTR1A P08908 1/20 0.39
DRD4 P21917 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
SCHEMBL26384841 0.96 ALDH1A1 (0.54) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL23269699 0.92 ALDH1A1 (0.51) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL17286057 0.85 ALDH1A1 (0.45) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL15043685 0.84 ALDH1A1 (0.59) ALDH1A1NPC1LMNARAB9ADRD2
SCHEMBL16803394 0.83 ALDH1A1 (0.42) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL19275359 0.83 ALDH1A1 (0.54) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL20457594 0.83 ALDH1A1 (0.58) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL12325467 0.83 ALDH1A1 (0.58) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL17285967 0.82 ALDH1A1 (0.46) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL8290941 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2DRD2SIGMAR1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3958867-B1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-06-26 EP disclosed
WO-2023250513-A1 13-MEMBERED MACROLIDE COMPOUNDS FOR TREATING DISEASES MEDIATED BY ABNORMAL PROTEIN TRANSLATION ZIKANI THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
WO-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 WO disclosed
WO-2023093832-A1 TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海济煜医药科技有限公司 2023-06-01 WO disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 WO disclosed
WO-2017091661-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF STROVEL JEFFREY WILLIAM (US) 2017-06-01 WO disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
US-8013152-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-06 US disclosed
WO-2010149684-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO disclosed
WO-2010106097-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 WO disclosed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed
WO-2007039578-A1 IMIDAZOLYL-SUBSTITUTED AZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039580-A1 IMIDAZOLYL-SUBSTITUTED BENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039581-A1 IMIDAZOLYL-SUBSTITUTED DIAZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 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 (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-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 ALDH1A1 1522/4885NPC1 2507/4885LMNA 2662/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ALDH1A1 729/4885NPC1 2578/4885LMNA 4585/4885

“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.