SCHEMBL5863

SCHEMBL5863

CN(C)C(=O)CN1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.56
ALDH1A1 P00352 1/20 0.51
CHRM5 P08912 2/20 0.50
CHRM3 P20309 2/20 0.50
DRD2 P14416 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BIRC2 Q13490 1/20 0.35
DRD4 P21917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35

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 SCHEMBL963162 0.98 ALDH1A1 (0.54) SIGMAR1ALDH1A1CHRM5CHRM3DRD2
Piperazine SCHEMBL28845954 0.98 SIGMAR1 (0.54) SIGMAR1ALDH1A1CHRM5CHRM3DRD2
Hydrochloric Acid SCHEMBL17271878 0.98 ALDH1A1 (0.54) SIGMAR1ALDH1A1CHRM5CHRM3DRD2
SCHEMBL2011012 0.93 SIGMAR1 (0.64) SIGMAR1ALDH1A1CHRM5CHRM3DRD2
Hydrochloric Acid SCHEMBL2009563 0.91 SIGMAR1 (0.62) SIGMAR1ALDH1A1CHRM5CHRM3DRD2
Trifluoroacetic Acid SCHEMBL21816637 0.88 SIGMAR1 (0.47) SIGMAR1ALDH1A1CHRM5CHRM3DRD2
SCHEMBL9470969 0.84 SIGMAR1 (0.53) SIGMAR1ALDH1A1CHRM5CHRM3MEN1
SCHEMBL8393969 0.84 SIGMAR1 (0.53) SIGMAR1ALDH1A1CHRM5CHRM3MEN1
SCHEMBL665674 0.82 SIGMAR1 (0.61) SIGMAR1ALDH1A1CHRM5CHRM3MEN1
SCHEMBL2010851 0.82 CHRM5 (0.54) SIGMAR1ALDH1A1CHRM5CHRM3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503573-A 2- substituted anilinic pyrimidine derivatives and application thereof 昆明圣加南生物科技有限公司 2019-03-22 CN claimed
CN-105348266-B 3 chlorine N [3 (the base amino of the pyrimidine 2) phenyl] propionamides or its salt of substitution 阿斯利康(瑞典)有限公司 2018-04-10 CN claimed
CN-105175396-B 4 methoxyl group N of substitution3The diamine compound of (base of pyrimidine 2) benzene 1,3 and its salt 阿斯利康(瑞典)有限公司 2018-01-16 CN claimed
CN-105254616-B The substituted amines of N (nitrobenzophenone of 2 methoxyl group 5) pyrimidine 2 and its salt 阿斯利康(瑞典)有限公司 2017-10-17 CN claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
EP-2044036-B1 [4,5']BIPYRIMIDINYL-6,4'-DIAMINE DERIVATIVES AS PROTEIN KINASE INHBITORS IRM LLC (BM) 2011-05-04 EP claimed
JP-2008521903-A 2008-06-26 JP claimed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed
US-12503473-B2 Triazolopyrimidine compounds and their use in treating cancer DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2025-12-23 US disclosed
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-12-26 US disclosed
EP-4050005-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-12-25 EP disclosed
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2002085885-A1 PIPERAZINO-DERIVATIVES AND THEIR USE AS PDE4 INHIBITOR ALTANA PHARMA AG (DE) 2002-10-31 WO disclosed
EP-0551993-B1 Pyrrolidine derivatives and process for preparing the same SUMITOMO PHARMA (JP) 1996-07-10 EP disclosed
US-5322952-A Pyrrolidine derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-06-21 US disclosed
EP-0551993-A1 Pyrrolidine derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-07-21 EP 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-12503473-B2 Triazolopyrimidine compounds and their use in treating cancer ABCC4, ABCB1, SLC16A3 SIGMAR1 3480/4885ALDH1A1 205/4885CHRM5 3960/4885
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIGMAR1 2832/4885ALDH1A1 2153/4885CHRM5 2848/4885
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 SIGMAR1 3480/4885ALDH1A1 205/4885CHRM5 3960/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K SIGMAR1 3147/4885ALDH1A1 977/4885CHRM5 4444/4885

“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.