SCHEMBL1982140

SCHEMBL1982140

CC(C)(CO)c1ccc(N2[C@H](c3ccc(N)cc3)CC[C@H]2c2ccc(N)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGER2 P43116 3/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 6/20 0.33
GFER P55789 3/20 0.33
GAA P10253 2/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STING1 Q86WV6 1/20 0.32
CNR1 P21554 1/20 0.32
ADRA2C P18825 1/20 0.32
PTK2B Q14289 1/20 0.32

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
SCHEMBL14856738 1.00 MAPT (0.35) MAPTNPC1RAB9APTGER2KDM4E
SCHEMBL1989751 0.84 MAPT (0.43) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL1989823 0.84 MAPT (0.43) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL14856415 0.84 MAPT (0.43) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL1983676 0.81 PDE5A (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1983143 0.78 KIF11 (0.47) PRKCZ
SCHEMBL1982165 0.78 KIF11 (0.47) PRKCZ
SCHEMBL394785 0.76 MAPT (0.52) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL18913952 0.73 KDM4E (0.33) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL18913915 0.73 KDM4E (0.33) MAPTNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 EP disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
EP-2853531-A2 Antiviral compounds AbbVie Bahamas Ltd. (BS) 2015-04-01 EP disclosed
EP-2455376-B1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) ABBVIE BAHAMAS LTD (BS) 2014-11-26 EP disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
EP-2337781-B1 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION ABBVIE BAHAMAS LTD (BS) 2014-07-23 EP disclosed
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 EP disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 EP disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO 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 (3 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885NPC1 81/4885RAB9A 1535/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MAPT 2833/4885NPC1 81/4885RAB9A 1535/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885NPC1 81/4885RAB9A 1535/4885

“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.