SCHEMBL188061

SCHEMBL188061

COCC(=O)N1CC[N]CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
CYP2D6 P10635 9/20 0.44
CYP3A4 P08684 7/20 0.44
TSHR P16473 4/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 2/20 0.40
USP2 O75604 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 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
SCHEMBL14010813 0.84
SCHEMBL8402970 0.84 ALDH1A1 (0.51) ALDH1A1CYP2D6CYP3A4TSHRCYP2C9
SCHEMBL11406691 0.80
SCHEMBL944668 0.80 ALDH1A1 (0.53) ALDH1A1TSHRCYP1A2MAPTHPGD
SCHEMBL2904238 0.80 ALDH1A1 (0.44) ALDH1A1TSHRMAPTHPGDSMN1; SMN2
SCHEMBL3552242 0.80 HPGD (0.41) ALDH1A1CYP3A4HSD17B10HPGDSMN1; SMN2
SCHEMBL1220310 0.78 KMT2A (0.52) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL13450960 0.78 KMT2A (0.52) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL4257 0.78 AKR1C3 (0.37) ALDH1A1CYP3A4TSHRHSD17B10HPGD
SCHEMBL508614 0.77 GAA (0.51) ALDH1A1CYP1A2MAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US claimed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US claimed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP claimed
EP-1200433-B1 C-6 RING-SUBSTITUTED PYRIDO[1,2-a]BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ORTHO MCNEIL PHARM INC (US) 2006-03-22 EP claimed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO claimed
EP-1200433-A1 C-6 RING-SUBSTITUTED PYRIDO 1,2- i a /i ]BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-05-02 EP claimed
US-6358946-B1 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS, ANTICONVULSANTS, AND HYPNOSIS AGENTS; SLEEP DISORDER TREATMENT ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-03-19 US claimed
WO-2001009132-A1 C-6 RING-SUBSTITUTED PYRIDO[1,2-a]BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-02-08 WO claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
EP-2376493-B1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD KK (JP) 2016-10-05 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
EP-1200433-B1 C-6 RING-SUBSTITUTED PYRIDO[1,2-a]BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ORTHO MCNEIL PHARM INC (US) 2006-03-22 EP disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 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-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI ALDH1A1 320/4885CYP2D6 830/4885CYP3A4 704/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 ALDH1A1 997/4885CYP2D6 229/4885CYP3A4 55/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 ALDH1A1 385/4885CYP2D6 106/4885CYP3A4 47/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 ALDH1A1 755/4885CYP2D6 996/4885CYP3A4 1626/4885

“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.