SCHEMBL2603247

SCHEMBL2603247

CC(C)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.68
ALDH1A1 P00352 1/20 0.60
EPHX1 P07099 1/20 0.58
L3MBTL3 Q96JM7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
BLM P54132 1/20 0.57
HPGD P15428 1/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
MGLL Q99685 1/20 0.52
HSD11B1 P28845 1/20 0.52
GRM5 P41594 1/20 0.52

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
SCHEMBL12261876 0.90 ACHE (0.59) ACHEALDH1A1EPHX1L3MBTL3L3MBTL1
SCHEMBL25945885 0.90 ACHE (0.59) ACHEALDH1A1EPHX1L3MBTL3L3MBTL1
SCHEMBL20233114 0.90 ACHE (0.59) ACHEALDH1A1EPHX1L3MBTL3L3MBTL1
SCHEMBL7320518 0.89 ACHE (0.66) ACHEALDH1A1EPHX1L3MBTL3L3MBTL1
SCHEMBL22875318 0.88 BLM (0.56) ACHEALDH1A1EPHX1L3MBTL3L3MBTL1
SCHEMBL9785724 0.87 ACHE (0.64) ACHEALDH1A1EPHX1L3MBTL3L3MBTL1
SCHEMBL14600382 0.87 HTT (0.66) ACHEALDH1A1HPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL9785687 0.86 ACHE (0.62) ACHEALDH1A1EPHX1L3MBTL3L3MBTL1
SCHEMBL14003456 0.85 KMT2A (0.65) ALDH1A1L3MBTL3L3MBTL1HPGDKMT2A
SCHEMBL19106730 0.85 RECQL (0.54) ACHEALDH1A1L3MBTL3KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-11795159-B2 Compounds for the treatment of SARS PURDUE RESEARCH FOUNDATION (US) 2023-10-24 US disclosed
US-11753397-B2 Cereblon binders for the degradation of ikaros C4 THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-11753397-B2 Cereblon binders for the degradation of ikaros C4 THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 US disclosed
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-15 US disclosed
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-15 US disclosed
US-20220411401-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2022-12-29 US disclosed
US-20210179595-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-7501406-B2 Fluoro substituted 2-oxo-azepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 US disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 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 (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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 ACHE 210/4885ALDH1A1 684/4885EPHX1 974/4885
US-20210179595-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ACHE 282/4885ALDH1A1 250/4885EPHX1 2434/4885
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 ACHE 3442/4885ALDH1A1 3835/4885EPHX1 2677/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT ACHE 4575/4885ALDH1A1 982/4885EPHX1 3913/4885
US-11753397-B2 Cereblon binders for the degradation of ikaros CRBN, IKZF1, IKZF3 ACHE 3575/4885ALDH1A1 3363/4885EPHX1 4497/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ACHE 210/4885ALDH1A1 684/4885EPHX1 974/4885
US-11795159-B2 Compounds for the treatment of SARS ACE2, ACE, SARS1 ACHE 286/4885ALDH1A1 3093/4885EPHX1 2271/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ACHE 210/4885ALDH1A1 684/4885EPHX1 974/4885
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ACHE 282/4885ALDH1A1 250/4885EPHX1 2434/4885
US-20070037789-A1 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-[2-fluoro-4-(2H-[1,2,4]triazol-3-yl)-benzyl]-benzenesulfonamide; gamma -secretase inhibitor; neurodegenerative diseases; Alzheimer's disease; anticarcinogenic agent; cervical carcinomas and breast carcinomas and malignancies of the hematotic system BACE1, BACE2, BRCA1 ACHE 25/4885ALDH1A1 630/4885EPHX1 383/4885
US-20220411401-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, ACE, SARS1 ACHE 286/4885ALDH1A1 3093/4885EPHX1 2271/4885

“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.