SCHEMBL652054

SCHEMBL652054

O=C(NC1CCCCC1)N1CCNCC1

nearest known ligand 0.96

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.72
POLB P06746 3/20 0.62
HSD17B10 Q99714 1/20 0.62
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CHRM5 P08912 1/20 0.58
CHRM3 P20309 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
LMNA P02545 1/20 0.57
EPHX1 P07099 1/20 0.56
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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 SCHEMBL27392976 0.98 HTT (0.70) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8521203 0.98 HTT (0.69) HTTPOLBHSD17B10KDM4EALDH1A1
Bicarbonate SCHEMBL15226037 0.96 HTT (0.68) HTTPOLBHSD17B10KDM4EALDH1A1
Water SCHEMBL29943750 0.96 HTT (0.67) HTTPOLBHSD17B10KDM4EALDH1A1
Water SCHEMBL28848386 0.96 HTT (0.67) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL10839248 0.95 HTT (0.71) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8521234 0.94 HTT (0.63) HTTPOLBHSD17B10KDM4EALDH1A1
Acetic Acid SCHEMBL17114099 0.93 HTT (0.64) HTTPOLBHSD17B10KDM4EALDH1A1
Acetic Acid SCHEMBL28134674 0.92 HTT (0.62) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL2952691 0.90 HTT (0.57) HTTPOLBHSD17B10KDM4EALDH1A1

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 74 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
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN 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
EP-1616859-B1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP 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
EP-2480546-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-08-01 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
CN-122079899-A Application of pharmaceutical composition in preparation of medicines for preventing or treating diseases related to Sirttail 7 protein 2026-05-26 CN disclosed
US-20040266750-A1 Beta-lactamyl vasopressin v1aantagonists AZEVAN PHARMACEUTICALS, INC. 2004-12-30 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-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 HTT 4519/4885POLB 4372/4885HSD17B10 3860/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 HTT 3711/4885POLB 1389/4885HSD17B10 1639/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 HTT 2408/4885POLB 870/4885HSD17B10 1971/4885
US-20040266750-A1 Beta-lactamyl vasopressin v1aantagonists AVPR1A, AVPR2, AVPR1B HTT 1887/4885POLB 4529/4885HSD17B10 1731/4885

“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.