SCHEMBL2275503

SCHEMBL2275503

CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(-c2nc(-c3cccnc3)no2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.50
HCRTR2 O43614 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
USP30 Q70CQ3 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 3/20 0.45
S1PR1 P21453 2/20 0.45
PKM P14618 1/20 0.45
CA9 Q16790 1/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNA5 P30532 3/20 0.43
CHRNA4 P43681 3/20 0.43
GRM5 P41594 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
UCHL1 P09936 1/20 0.42
CYP1A2 P05177 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
SCHEMBL2275501 1.00 SCD (0.50) SCDHCRTR2NPC1RAB9AMAPT
SCHEMBL27789101 0.87 SCD (0.57) SCDHCRTR2NPC1RAB9AMAPT
SCHEMBL27789100 0.87 SCD (0.57) SCDHCRTR2NPC1RAB9AMAPT
SCHEMBL15848655 0.85 HCRTR2 (0.60) HCRTR2GRM5
SCHEMBL15848653 0.85 HCRTR2 (0.60) HCRTR2GRM5
SCHEMBL3852300 0.81 HCRTR2 (0.49) SCDHCRTR2MAPTUSP30GPR119
SCHEMBL23992271 0.80 ALDH1A1 (0.56) MAPTCHRNB2CHRNA5CHRNA4LMNA
SCHEMBL30148091 0.80 ALDH1A1 (0.56) MAPTCHRNB2CHRNA5CHRNA4LMNA
SCHEMBL24114777 0.80 ALDH1A1 (0.56) MAPTCHRNB2CHRNA5CHRNA4LMNA
SCHEMBL3667865 0.79 USP30 (0.51) MAPTUSP30LMNAKMT2AUCHL1

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
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US disclosed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 EP disclosed
US-9186407-B2 Pharmaceutical compositions and their methods of use ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 EP disclosed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 US disclosed
US-8486979-B2 Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders ABBVIE INC. (US) 2013-07-16 US disclosed
EP-2101763-B1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LAB (US) 2012-07-18 EP disclosed
US-20110190314-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2010138600-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 EP disclosed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 EP disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 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 (5 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-20110190314-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 SCD 2565/4885HCRTR2 322/4885NPC1 1677/4885
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain CHRNA1, CHRNG, CHRNA4 SCD 2950/4885HCRTR2 334/4885NPC1 2912/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 SCD 2873/4885HCRTR2 285/4885NPC1 1201/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 SCD 2565/4885HCRTR2 322/4885NPC1 1677/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 SCD 2565/4885HCRTR2 322/4885NPC1 1677/4885

“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.