SCHEMBL2076150

SCHEMBL2076150

CN1CCN(c2ncccc2C#N)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
MAPT P10636 1/20 0.64
DRD2 P14416 6/20 0.61
HTR2A P28223 5/20 0.61
HSD11B1 P28845 1/20 0.59
KDM4E B2RXH2 4/20 0.57
RECQL P46063 1/20 0.57
HTR1A P08908 2/20 0.56
HTR7 P34969 2/20 0.56
DRD4 P21917 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL30607591 1.00 ALDH1A1 (0.64) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL3290261 0.94 ALDH1A1 (0.59) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL30607636 0.87 ALDH1A1 (0.54) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL3287137 0.85 KDM4E (0.61) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL565864 0.85 KDM4E (0.61) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL2076147 0.84 ALDH1A1 (0.60) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL30748716 0.83 KDM4E (0.59) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL3290416 0.83 KDM4E (0.59) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL6822065 0.83 KDM4E (0.59) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL12670251 0.83 DRD2 (0.64) ALDH1A1MAPTDRD2HTR2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US claimed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US claimed
WO-2024054469-A1 ISOQUINOLONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-03-14 WO disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-7960413-B2 Pyrazole compounds MERCK PATENT GMBH (DE) 2011-06-14 US disclosed
US-7960413-B2 Pyrazole compounds MERCK PATENT GMBH (DE) 2011-06-14 US disclosed
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US disclosed
US-7842695-B2 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2010-11-30 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 US disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 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 (4 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-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 ALDH1A1 381/4885MAPT 3471/4885DRD2 606/4885
US-20070010531-A1 Substituted pyrazole compounds HTR3A, HTR1A, HTR1D ALDH1A1 897/4885MAPT 2184/4885DRD2 64/4885
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A ALDH1A1 1336/4885MAPT 1204/4885DRD2 28/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 ALDH1A1 299/4885MAPT 2809/4885DRD2 2923/4885

“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.