SCHEMBL1105469

SCHEMBL1105469

CC1CCC(c2ccccc2)N1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PRCP P42785 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN3A Q9NY46 1/20 0.38
LMNA P02545 1/20 0.38
CHRNA7 P36544 1/20 0.37

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
SCHEMBL15730210 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL20983529 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL15730213 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL19776738 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL25322420 0.88 TSHR (0.46) SMN1; SMN2MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL25322414 0.88 TSHR (0.46) SMN1; SMN2MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL24367529 0.88 TSHR (0.46) SMN1; SMN2MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL29081860 0.88 TSHR (0.46) SMN1; SMN2MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL24366653 0.88 TSHR (0.46) SMN1; SMN2MEN1KMT2ASLC18A3SIGMAR1
Fumaric Acid SCHEMBL9080832 0.86 KCNH2 (0.40) SMN1; SMN2KCNH2SCN3ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LIMITED (CN) 2023-04-20 US disclosed
US-10995056-B2 Direct C—H amination and aza-annulation THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-04 US disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-20190152892-A1 DIRECT C-H AMINATION AND AZA-ANNULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-23 US disclosed
WO-2018013540-A1 DIRECT C-H AMINATION AND AZA-ANNULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-18 WO disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (10 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885MEN1 2414/4885KMT2A 4800/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885MEN1 2414/4885KMT2A 4800/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 SMN1; SMN2 3550/4885MEN1 2109/4885KMT2A 3239/4885
US-10995056-B2 Direct C—H amination and aza-annulation AOC3, ALKBH3, AZI2 SMN1; SMN2 3039/4885MEN1 2508/4885KMT2A 550/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SMN1; SMN2 2296/4885MEN1 2414/4885KMT2A 4800/4885
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION FTH1, FECH, HCCS SMN1; SMN2 3634/4885MEN1 2070/4885KMT2A 624/4885
US-20190152892-A1 DIRECT C-H AMINATION AND AZA-ANNULATION AOC3, ALKBH3, AZI2 SMN1; SMN2 2895/4885MEN1 2673/4885KMT2A 591/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SMN1; SMN2 2296/4885MEN1 2414/4885KMT2A 4800/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SMN1; SMN2 3500/4885MEN1 2645/4885KMT2A 2804/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SMN1; SMN2 3500/4885MEN1 2645/4885KMT2A 2804/4885

“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.