SCHEMBL655599

SCHEMBL655599

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
NAMPT P43490 1/20 0.61
MAPT P10636 1/20 0.57
TRPV1 Q8NER1 9/20 0.56
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
HPGDS O60760 1/20 0.56
FAAH O00519 1/20 0.55
PRKAB2 O43741 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAG3 Q9UGI9 1/20 0.55
PRKAG2 Q9UGJ0 1/20 0.55
PRKAB1 Q9Y478 1/20 0.55
GOT1 P17174 1/20 0.54
KIT P10721 1/20 0.53

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 SCHEMBL23246046 0.98 POLB (0.66) POLBNAMPTMAPTTRPV1CNR1
SCHEMBL3072567 0.94 MAPT (0.59) POLBNAMPTMAPTTRPV1CNR1
Hydrochloric Acid SCHEMBL28861578 0.92 POLB (0.58) POLBNAMPTMAPTTRPV1CNR1
SCHEMBL14306236 0.86 MAPT (0.69) NAMPTMAPTTRPV1CNR1CNR2
SCHEMBL4559682 0.86 MAPT (0.73) NAMPTMAPTTRPV1CNR1CNR2
SCHEMBL2385073 0.85 POLB (0.55) POLBMAPTHPGDS
SCHEMBL30965820 0.85 POLB (0.63) POLBTRPV1CNR1CNR2
SCHEMBL6153200 0.84 KMT2A (0.69) NAMPTMAPTTRPV1CNR1CNR2
SCHEMBL2384223 0.83 POLB (0.61) POLBMAPTTRPV1FAAHGOT1
SCHEMBL2054569 0.83 KMT2A (0.71) POLBMAPTFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221633-A TRPV1/URAT1 dual inhibitor, preparation method and application thereof 郑州大学第一附属医院 2024-06-21 CN claimed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US claimed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP claimed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US claimed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP claimed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US claimed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US claimed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US claimed
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP claimed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP claimed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO claimed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US claimed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP claimed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO claimed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO claimed
EP-4678234-A1 ANTAGONIST HETEROCYCLIC COMPOUNDS INVOLVED IN THE CGAS-STING ROUTE Centre National de la Recherche Scientifique (FR) 2026-01-14 EP disclosed
CN-118221633-A TRPV1/URAT1 dual inhibitor, preparation method and application thereof 郑州大学第一附属医院 2024-06-21 CN disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 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 (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-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 POLB 1540/4885NAMPT 1465/4885MAPT 4643/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 POLB 4372/4885NAMPT 1272/4885MAPT 3520/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 POLB 1389/4885NAMPT 3716/4885MAPT 4213/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 POLB 870/4885NAMPT 2950/4885MAPT 4850/4885

“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.