SCHEMBL6132906

SCHEMBL6132906

Cn1cnc(CCC=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
TSHR P16473 1/20 0.58
MTOR P42345 1/20 0.58
HRH4 Q9H3N8 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
TDP1 Q9NUW8 1/20 0.56
NAMPT P43490 1/20 0.33
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.30
LTA4H P09960 1/20 0.30
OGA O60502 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR1D P28221 1/20 0.30

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
SCHEMBL22533416 0.89 TSHR (0.55) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL13563915 0.81 CYP2C9 (0.58) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL16310140 0.80 HRH4 (0.53) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL873272 0.80
SCHEMBL6181814 0.78 CPB2 (0.40) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL9570325 0.78
SCHEMBL6368933 0.77 CYP2C9 (0.33) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL2178770 0.76 HRH4 (0.62) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL18724710 0.76 CYP2C9 (0.47) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL8288760 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
US-20130287789-A1 Organic Compounds NOVARTIS AG (CH) 2013-10-31 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-8314097-B2 Organic compounds NOVARTIS AG (CH) 2012-11-20 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 US disclosed
US-6924278-B2 Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20050153964-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
US-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-02-03 US disclosed
EP-1492787-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003087088-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-10-23 WO disclosed
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 US disclosed
EP-0993457-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
WO-1998057954-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 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 (6 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-20070049616-A1 Organic compounds CYP19A1, CYP17A1, HSD17B11 CYP2C9 274/4885CYP2C19 85/4885TSHR 3352/4885
US-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists TAC3, TACR1, SSTR5 CYP2C9 3253/4885CYP2C19 1375/4885TSHR 634/4885
US-20050153964-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis LYPLAL1, PLA2G12A, ENPP2 CYP2C9 2467/4885CYP2C19 1056/4885TSHR 2563/4885
US-20130287789-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP2C9 274/4885CYP2C19 85/4885TSHR 3352/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP2C9 274/4885CYP2C19 85/4885TSHR 3352/4885
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS TACR1, NPSR1, SSTR2 CYP2C9 2494/4885CYP2C19 913/4885TSHR 319/4885

“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.