SCHEMBL104969

SCHEMBL104969

CC(C)c1ccc(NC2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPK1 P28482 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 2/20 0.48
RORC P51449 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.42
NFKB1 P19838 1/20 0.42
EPHX2 P34913 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL12074650 0.90 NPC1 (0.43) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL16980494 0.87 NPC1 (0.54) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL12074616 0.83 SMN1; SMN2 (0.53) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL12074647 0.83 SMN1; SMN2 (0.57) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL18999705 0.82 MAPK1 (0.41) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL12160707 0.81 SMN1; SMN2 (0.59) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL12963661 0.80 PRMT5 (0.40) MAPK1RORCKDM4ELMNA
SCHEMBL23247149 0.79 PLK4 (0.54) RAB9AMAPK1MAPTRORCGAA
SCHEMBL178453 0.79 MAPK1 (0.53) NPC1RAB9AMAPK1MAPTL3MBTL1
SCHEMBL21064116 0.79 MAPK1 (0.43) NPC1RAB9AMAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066355-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2025-02-27 US disclosed
US-12172998-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2024-12-24 US disclosed
US-11840527-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-12-12 US disclosed
US-20230117519-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2023-04-20 US disclosed
US-20230117519-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2023-04-20 US disclosed
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 US disclosed
US-11535616-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC (US) 2022-12-27 US disclosed
US-11535616-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC (US) 2022-12-27 US disclosed
EP-3453710-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-09-21 EP disclosed
EP-3430008-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-05-18 EP disclosed
US-20150141425-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2015-05-21 US disclosed
US-8906938-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2014-12-09 US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 US disclosed
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
WO-2011163640-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-12-29 WO disclosed
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 US disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100160320-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-06-24 US disclosed
US-20100160320-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-06-24 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 (12 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 NPC1 1892/4885RAB9A 3030/4885MAPK1 1559/4885
US-20100160320-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPC1 2134/4885RAB9A 2420/4885MAPK1 3645/4885
US-20150141425-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPC1 2134/4885RAB9A 2420/4885MAPK1 3645/4885
US-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPC1 2134/4885RAB9A 2420/4885MAPK1 3645/4885
US-12172998-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5C NPC1 4627/4885RAB9A 3355/4885MAPK1 2717/4885
US-11535616-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5C NPC1 4627/4885RAB9A 3355/4885MAPK1 2717/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPC1 2134/4885RAB9A 2420/4885MAPK1 3645/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPC1 2134/4885RAB9A 2420/4885MAPK1 3645/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 NPC1 2134/4885RAB9A 2420/4885MAPK1 3645/4885
US-20230117519-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C NPC1 4627/4885RAB9A 3355/4885MAPK1 2717/4885
US-20250066355-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C NPC1 4627/4885RAB9A 3355/4885MAPK1 2717/4885
US-11840527-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH NPC1 320/4885RAB9A 1953/4885MAPK1 4572/4885

“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.