SCHEMBL10159880

SCHEMBL10159880

CC(C)Cc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.54
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
KCNJ1 P48048 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48

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
SCHEMBL24663840 0.94 HRH3 (0.59) HRH3SMN1; SMN2ALDH1A1TSHRNOS3
SCHEMBL25443762 0.87 SIGMAR1 (0.52) HRH3SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL18942427 0.85 HRH3 (0.59) HRH3SMN1; SMN2ALDH1A1TSHRNOS3
SCHEMBL15467001 0.84 HRH3 (0.87) HRH3SMN1; SMN2ALDH1A1NOS3NOS1
SCHEMBL14652036 0.83 NCF1 (0.65) HRH3SMN1; SMN2ALDH1A1TSHRNOS1
SCHEMBL20013868 0.83 HRH3 (0.65) HRH3SMN1; SMN2ALDH1A1POLB
SCHEMBL4547887 0.82 HRH3 (0.65) HRH3SMN1; SMN2ALDH1A1NOS3NOS1
SCHEMBL30596572 0.81 HRH3 (0.69) HRH3SMN1; SMN2ALDH1A1POLB
SCHEMBL19441582 0.81 HRH3 (0.62) HRH3SMN1; SMN2ALDH1A1NOS3NOS1
SCHEMBL19441606 0.81 HRH3 (0.62) HRH3SMN1; SMN2ALDH1A1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-10787482-B2 Epoxyketone compounds for enzyme inhibition Centrax International Inc. (US) 2020-09-29 US disclosed
US-10640533-B2 Epoxyketone compounds for enzyme inhibition CENTRAX INTERNATIONAL, INC. (US) 2020-05-05 US disclosed
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2020-03-19 US disclosed
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2017-06-08 US disclosed
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2017-06-08 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (13 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 HRH3 1912/4885SMN1; SMN2 4368/4885ALDH1A1 3954/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 HRH3 1831/4885SMN1; SMN2 4594/4885ALDH1A1 1806/4885
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 HRH3 1828/4885SMN1; SMN2 4554/4885ALDH1A1 1907/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 HRH3 1831/4885SMN1; SMN2 4594/4885ALDH1A1 1806/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HRH3 1831/4885SMN1; SMN2 4594/4885ALDH1A1 1806/4885
US-10787482-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 HRH3 4156/4885SMN1; SMN2 1323/4885ALDH1A1 1707/4885
US-10640533-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 HRH3 4156/4885SMN1; SMN2 1323/4885ALDH1A1 1707/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HRH3 1831/4885SMN1; SMN2 4594/4885ALDH1A1 1806/4885
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 HRH3 4156/4885SMN1; SMN2 1323/4885ALDH1A1 1707/4885
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 HRH3 4156/4885SMN1; SMN2 1323/4885ALDH1A1 1707/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B HRH3 3186/4885SMN1; SMN2 2933/4885ALDH1A1 4253/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HRH3 1831/4885SMN1; SMN2 4594/4885ALDH1A1 1806/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 HRH3 1736/4885SMN1; SMN2 4507/4885ALDH1A1 1875/4885

“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.