SCHEMBL4547889

SCHEMBL4547889

CC(C)c1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.59
FKBP1A P62942 1/20 0.58
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.49
HRH3 Q9Y5N1 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL21479290 0.90 SIGMAR1 (0.64) SIGMAR1FKBP1AALDH1A1MEN1KMT2A
SCHEMBL21663768 0.89 SIGMAR1 (0.58) SIGMAR1FKBP1AALDH1A1MEN1KMT2A
SCHEMBL10169516 0.84 HRH3 (0.59) SIGMAR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL10169518 0.84 HRH3 (0.65) SIGMAR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL14924046 0.83 HRH3 (0.65) SIGMAR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL14924023 0.83 SIGMAR1 (0.58) SIGMAR1L3MBTL1L3MBTL3HRH3KCNH2
SCHEMBL4547887 0.83 HRH3 (0.65) FKBP1AALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL19441582 0.81 HRH3 (0.62) FKBP1AALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL19441606 0.81 HRH3 (0.62) FKBP1AALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL14924019 0.81 SIGMAR1 (0.59) SIGMAR1HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578079-B2 SUMO inhibitor compounds and uses thereof CITY OF HOPE (US) 2023-02-14 US disclosed
US-11174264-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-11-16 US disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 US disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 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 (15 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-11578079-B2 SUMO inhibitor compounds and uses thereof SUMO1, SUMO2, UBE2I SIGMAR1 3866/4885FKBP1A 907/4885ALDH1A1 1799/4885
US-11174264-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SIGMAR1 4733/4885FKBP1A 1296/4885ALDH1A1 4827/4885
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SIGMAR1 4733/4885FKBP1A 1296/4885ALDH1A1 4827/4885
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 SIGMAR1 4685/4885FKBP1A 1539/4885ALDH1A1 2062/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SIGMAR1 4733/4885FKBP1A 1296/4885ALDH1A1 4827/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SIGMAR1 4733/4885FKBP1A 1296/4885ALDH1A1 4827/4885
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SIGMAR1 4502/4885FKBP1A 1663/4885ALDH1A1 1855/4885
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SIGMAR1 4572/4885FKBP1A 2575/4885ALDH1A1 2249/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SIGMAR1 4733/4885FKBP1A 1296/4885ALDH1A1 4827/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SIGMAR1 4513/4885FKBP1A 2428/4885ALDH1A1 1976/4885
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SIGMAR1 4700/4885FKBP1A 3077/4885ALDH1A1 639/4885
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SIGMAR1 4733/4885FKBP1A 1296/4885ALDH1A1 4827/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SIGMAR1 4733/4885FKBP1A 1296/4885ALDH1A1 4827/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SIGMAR1 4733/4885FKBP1A 1296/4885ALDH1A1 4827/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SIGMAR1 4733/4885FKBP1A 1296/4885ALDH1A1 4827/4885

“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.