SCHEMBL4100480

SCHEMBL4100480

CC(C)C(=O)NCCN1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
CNR1 P21554 1/20 0.47
USP2 O75604 1/20 0.46
HTR4 Q13639 1/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SHMT2 P34897 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL14520631 0.89 USP2 (0.59) DRD2DRD4USP2TP53SMN1; SMN2
SCHEMBL9911466 0.87 RAB9A (0.54) CYP2C19DRD2DRD4TSHRPOLB
SCHEMBL18347983 0.87 RAB9A (0.50) CYP2C19DRD2DRD4TSHRPOLB
SCHEMBL22987635 0.86 CYP2C19 (0.49) CYP2C19HDAC2HDAC8HDAC6CNR1
SCHEMBL3594497 0.85 CA12 (0.54) CYP2C19POLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL16252553 0.84 CYP2C19 (0.44) CYP2C19HDAC2HDAC8HDAC6DRD2
SCHEMBL23568546 0.84 KMT2A (0.47) CYP2C19HDAC2HDAC8HDAC6DRD2
SCHEMBL12899404 0.83 CYP2C19 (0.47) CYP2C19HDAC2HDAC8HDAC6CNR1
SCHEMBL29645969 0.83 CYP2C19 (0.47) CYP2C19HDAC2HDAC8HDAC6CNR1
SCHEMBL24509122 0.82 KMT2A (0.50) CYP2C19HDAC2HDAC8HDAC6DRD2

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-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2021-12-28 US disclosed
EP-3390389-B1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 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-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2020-08-06 US disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA, INC. 2015-01-29 US disclosed
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 US disclosed
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES GENENTECH, INC. (US) 2014-11-20 US disclosed
US-8791123-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-07-29 US disclosed
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2013-08-22 US disclosed
US-8466155-B2 Pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 US disclosed
US-20110237598-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 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 (15 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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 IL17A, IL15, IL2 CYP2C19 95/4885HDAC2 421/4885HDAC8 530/4885
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 CYP2C19 4777/4885HDAC2 68/4885HDAC8 105/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2C19 3098/4885HDAC2 982/4885HDAC8 53/4885
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2C19 3103/4885HDAC2 873/4885HDAC8 162/4885
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES NQO1, NDUFC2, NDUFV2 CYP2C19 255/4885HDAC2 659/4885HDAC8 3206/4885
US-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC CYP2C19 3439/4885HDAC2 921/4885HDAC8 811/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CYP2C19 3098/4885HDAC2 982/4885HDAC8 53/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 CYP2C19 4845/4885HDAC2 2688/4885HDAC8 2698/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CYP2C19 3098/4885HDAC2 982/4885HDAC8 53/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K CYP2C19 1929/4885HDAC2 1587/4885HDAC8 2435/4885
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA CYP2C19 2078/4885HDAC2 1072/4885HDAC8 440/4885
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors TXK, FRK, LTK CYP2C19 2256/4885HDAC2 1667/4885HDAC8 2559/4885
US-20110237598-A1 NEW COMPOUNDS CCNA1, MKI67, CCNE1 CYP2C19 1185/4885HDAC2 2131/4885HDAC8 3298/4885
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors LTK, TXK, FRK CYP2C19 2447/4885HDAC2 1846/4885HDAC8 2667/4885
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC CYP2C19 3439/4885HDAC2 921/4885HDAC8 811/4885

“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.