SCHEMBL104309

SCHEMBL104309

Cc1ccc(CC(C)C)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
MEN1 O00255 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CYP2C9 P11712 1/20 0.50
CHRM3 P20309 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 2/20 0.46
POLB P06746 3/20 0.44
ALOX5 P09917 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL407650 0.85 POLB (0.39) CYP2C9POLBALOX5L3MBTL1NPC1
SCHEMBL11075230 0.82 CHRM2 (0.47) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL9071084 0.82 CHRM2 (0.47) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL22892193 0.80 CHRM2 (0.45) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL19818391 0.77 NPC1 (0.34) POLBL3MBTL1NPC1RAB9A
SCHEMBL12462041 0.77 MAPT (0.49) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL15371816 0.77 CHRM2 (0.47) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL459430 0.76 CHRM2 (0.36) CHRM2MEN1CHRM4CHRM5CHRM1
SCHEMBL16213682 0.76 NPC1 (0.36) POLBALOX5L3MBTL1NPC1RAB9A
SCHEMBL12304039 0.74 NPC1 (0.35) POLBL3MBTL1NPC1HSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US disclosed
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease MITOKININ, INC. (US) 2021-04-15 US disclosed
EP-2953950-B1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES UNIV CALIFORNIA (US) 2021-01-13 EP disclosed
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease MITOKININ LLC (US) 2020-12-01 US disclosed
US-20200283442-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2020-09-10 US disclosed
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-09-01 US disclosed
US-10723737-B2 Compositions and methods for treating neurodegenerative diseases and cardiomyopathy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-28 US disclosed
US-20200223851-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. 2020-07-16 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2009-08-06 US disclosed
US-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2009-08-06 US disclosed
EP-1549655-B1 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-01-21 EP disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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-10723737-B2 Compositions and methods for treating neurodegenerative diseases and cardiomyopathy PINK1, CKMT1A; CKMT1B, NLN CHRM2 2722/4885MEN1 4250/4885CHRM4 3043/4885
US-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease NLN, NME4, COQ8A CHRM2 2394/4885MEN1 2209/4885CHRM4 3505/4885
US-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS DCX, NGF, BDNF CHRM2 932/4885MEN1 4203/4885CHRM4 867/4885
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 CHRM2 3095/4885MEN1 1704/4885CHRM4 3245/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 CHRM2 4708/4885MEN1 4080/4885CHRM4 4603/4885
US-20200223851-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, CKMT1A; CKMT1B CHRM2 1472/4885MEN1 1776/4885CHRM4 2335/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A CHRM2 2394/4885MEN1 2209/4885CHRM4 3505/4885
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors LTK, TXK, FRK CHRM2 2621/4885MEN1 4189/4885CHRM4 2962/4885
US-20200283442-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY SNCA, SMN1; SMN2, CLN6 CHRM2 2678/4885MEN1 3137/4885CHRM4 3384/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CHRM2 217/4885MEN1 510/4885CHRM4 339/4885

“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.