SCHEMBL3150286

SCHEMBL3150286

CC(C)NC(=O)c1cc[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP1A2 P05177 1/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 1/20 0.42
HPGD P15428 2/20 0.41
CHRM2 P08172 1/20 0.41
GRM5 P41594 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 1/20 0.41
MLLT1 Q03111 1/20 0.40
MLYCD O95822 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3150441 0.86 ALDH1A1 (0.37) SMN1; SMN2ADORA3ADORA2AADORA2BADORA1
SCHEMBL5768524 0.84 KMT2A (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL15995601 0.83 ALDH1A1 (0.36) SMN1; SMN2ADORA3ADORA2AADORA2BADORA1
SCHEMBL169064 0.80
SCHEMBL5768783 0.79 KMT2A (0.47) SMN1; SMN2ADORA2AADORA1NPC1RAB9A
SCHEMBL22726168 0.79 PARP1 (0.39) SMN1; SMN2CYP1A2NPC1RAB9ACNR1
SCHEMBL466479 0.78
SCHEMBL21176491 0.77 GABRR1 (0.35) SMN1; SMN2CYP1A2ALDH1A1ALPL
SCHEMBL27837519 0.77 ALDH1A1 (0.47) SMN1; SMN2ADORA3ADORA2AADORA2BADORA1
SCHEMBL7527727 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208985-A2 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-06-27 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-11008358-B2 Synthesis of desosamines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-18 US disclosed
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
US-20200347087-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-05 US disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-20180111956-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-26 US disclosed
US-20180066008-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-08 US disclosed
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
CN-1913898-A Substituted piperazines CHEMOCENTRYX INC (US) 2007-02-14 CN 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 (11 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-20180066008-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF FUT6, MGAM, B3GNT2 SMN1; SMN2 3358/4885ADORA3 3308/4885ADORA2A 2672/4885
US-11008358-B2 Synthesis of desosamines NANS, GALE, FUT6 SMN1; SMN2 4172/4885ADORA3 2496/4885ADORA2A 2407/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SMN1; SMN2 3387/4885ADORA3 36/4885ADORA2A 170/4885
US-20240208985-A2 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS AR, SHBG, NR5A1 SMN1; SMN2 4522/4885ADORA3 363/4885ADORA2A 247/4885
US-20180111956-A1 SYNTHESIS OF DESOSAMINES NANS, GALE, FUT6 SMN1; SMN2 4172/4885ADORA3 2496/4885ADORA2A 2407/4885
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 SMN1; SMN2 285/4885ADORA3 325/4885ADORA2A 269/4885
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS PSEN1, PSEN2, SULT1E1 SMN1; SMN2 101/4885ADORA3 123/4885ADORA2A 720/4885
US-20200347087-A1 SYNTHESIS OF DESOSAMINES NANS, GALE, FUT6 SMN1; SMN2 4172/4885ADORA3 2496/4885ADORA2A 2407/4885
US-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP SMN1; SMN2 4064/4885ADORA3 506/4885ADORA2A 1801/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 SMN1; SMN2 3143/4885ADORA3 3876/4885ADORA2A 3401/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR SMN1; SMN2 3489/4885ADORA3 3906/4885ADORA2A 3725/4885

“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.