SCHEMBL3224181

SCHEMBL3224181

O=C(O)NC1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL15191550 1.00 HTT (0.37) HTTMCL1MEN1KMT2ATAS1R3
SCHEMBL1935629 0.94 MCL1 (0.42) HTTMCL1KMT2ANPC1LMNA
SCHEMBL2792237 0.94 MCL1 (0.42) HTTMCL1KMT2ANPC1LMNA
SCHEMBL19246194 0.81 KDM4E (0.40) HTTLMNA
SCHEMBL12270404 0.81 KDM4E (0.40) HTTLMNA
SCHEMBL12341652 0.79 CCR2 (0.49) HTTKMT2ASMN1; SMN2ALDH1A1CCR2
SCHEMBL12273703 0.78 CCR2 (0.56) HTTKMT2ASMN1; SMN2ALDH1A1CA12
SCHEMBL19538734 0.78 CCR2 (0.51) KMT2ASMN1; SMN2ALDH1A1CA12CA1
SCHEMBL21006304 0.78 CCR2 (0.56) HTTKMT2ASMN1; SMN2ALDH1A1CA12
SCHEMBL19538733 0.78 CCR2 (0.51) KMT2ASMN1; SMN2ALDH1A1CA12CA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4338737-A1 PARP7 INHIBITOR AND USE THEREOF Novostar Pharmaceuticals, Ltd. (CN) 2024-03-20 EP disclosed
US-20220409593-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS 2022-12-29 US disclosed
EP-3956031-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH Pfizer Inc. (US) 2022-02-23 EP disclosed
US-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 US disclosed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
WO-2021081272-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2021-04-29 WO disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 US disclosed
WO-2020212865-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 WO disclosed
EP-2766350-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2017-04-05 EP disclosed
EP-3057957-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-08-24 EP disclosed
WO-2015055994-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS TAKEDA CAMBRIDGE LIMITED (GB) 2015-04-23 WO disclosed
EP-2766350-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS Eli Lilly and Company (US) 2014-08-20 EP disclosed
US-8658693-B2 4-aminobenzonitrile selective androgen receptor modulators ELI LILLY AND COMPANY (US) 2014-02-25 US disclosed
US-20130217762-A1 Selective Androgen Receptor Modulators ELI LILLY AND COMPANY (US) 2013-08-22 US disclosed
WO-2013055577-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2013-04-18 WO disclosed
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 HTT 2799/4885MCL1 3570/4885MEN1 1145/4885
US-11203594-B2 Anti-proliferative agents for treating PAH EDNRB, EDNRA, PAH HTT 2874/4885MCL1 471/4885MEN1 368/4885
US-20130217762-A1 Selective Androgen Receptor Modulators AR, NR5A1, ESRRA HTT 4219/4885MCL1 3870/4885MEN1 3752/4885
US-20220409593-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME GRN, PSEN1, PSEN2 HTT 21/4885MCL1 3594/4885MEN1 1038/4885
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B HTT 1743/4885MCL1 4032/4885MEN1 2014/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH HTT 2874/4885MCL1 471/4885MEN1 368/4885

“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.