SCHEMBL10244890

SCHEMBL10244890

CC(C)(C)N1CCN(C(=O)CCc2ccc(Br)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.56
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAAA Q02083 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
FKBP1A P62942 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL19231615 0.88 HRH3 (0.53) GPR183ALDH1A1LMNANPC1TDP1
SCHEMBL10245232 0.86 GFER (0.58) GPR183ALDH1A1LMNANPC1TDP1
SCHEMBL10131894 0.85 NPC1 (0.67) ALDH1A1NPC1TDP1TSHRPOLB
SCHEMBL2379004 0.84 GPR183 (0.56) GPR183ALDH1A1NPC1TDP1TSHR
SCHEMBL3126004 0.82 NPC1 (0.70) NPC1TDP1POLBNAAASMN1; SMN2
SCHEMBL4827512 0.78 FKBP1A (0.72) ALDH1A1NPC1TDP1TSHRPOLB
SCHEMBL653012 0.78 NPC1 (0.54) GPR183ALDH1A1LMNANPC1TDP1
SCHEMBL7728474 0.77 AR (0.62) ALDH1A1LMNANPC1TDP1TSHR
SCHEMBL10244343 0.76 MEN1 (0.72) GPR183ALDH1A1LMNATDP1TSHR
SCHEMBL23533516 0.74 SIGMAR1 (0.49) HRH3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 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 GPR183 3471/4885ALDH1A1 517/4885LMNA 4878/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 GPR183 2015/4885ALDH1A1 548/4885LMNA 3181/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 GPR183 1711/4885ALDH1A1 441/4885LMNA 747/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 GPR183 2698/4885ALDH1A1 682/4885LMNA 3003/4885

“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.