SCHEMBL12308331

SCHEMBL12308331

CC(C)C(=O)N1CCCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.50
CHRM3 P20309 2/20 0.49
CHRM1 P11229 1/20 0.49
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 4/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
HTR1A P08908 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
SCHEMBL188546 0.91 CYP1A2 (0.54) CHRM3CHRM1CYP1A2TDP1HSD17B10
SCHEMBL25514015 0.89 ALDH1A1 (0.46) HTTLMNACHRM1KMT2AMEN1
SCHEMBL4546653 0.87
SCHEMBL16906761 0.86 HTT (0.50) HTTLMNACHRM3CHRM1CYP1A2
SCHEMBL19640023 0.84 HTT (0.49) HTTLMNACHRM3CHRM1CYP1A2
SCHEMBL19640106 0.84 HTT (0.49) HTTLMNACHRM3CHRM1CYP1A2
SCHEMBL1106510 0.82 CHRNB2 (0.46) HTTKMT2AMEN1
SCHEMBL674660 0.82
SCHEMBL22753493 0.82 CHRNB2 (0.50) LMNAKMT2APOLBMEN1MAPT
SCHEMBL4546617 0.82 CHRNB2 (0.50) LMNAKMT2APOLBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 US disclosed
US-20230010358-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein PRELUDE THERAPEUTICS, INCORPORATED 2023-01-12 US disclosed
WO-2022000443-A1 METHODS AND COMPOSITIONS FOR TARGETING TREGS USING CCR8 INHIBITORS Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-01-06 WO disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-9834521-B2 Choline kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834521-B2 Choline kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20100197662-A1 HETEROCYCLIC COMPOUND HAVING TYPE I 11 BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-08-05 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 US disclosed
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. 2008-10-09 US disclosed
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. 2008-10-09 US disclosed
US-7354919-B2 Isoxazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 US disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 HTT 4727/4885LMNA 4214/4885CHRM3 3146/4885
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 HTT 4746/4885LMNA 4102/4885CHRM3 3214/4885
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTT 3149/4885LMNA 3763/4885CHRM3 2788/4885
US-20100197662-A1 HETEROCYCLIC COMPOUND HAVING TYPE I 11 BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD11B1, HSD3B1, HSD11B2 HTT 3987/4885LMNA 2799/4885CHRM3 2136/4885
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 HTT 4671/4885LMNA 3345/4885CHRM3 1450/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 HTT 2641/4885LMNA 3635/4885CHRM3 361/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 HTT 4445/4885LMNA 4386/4885CHRM3 252/4885
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR MRGPRX2, MRGPRX4, MRGPRX1 HTT 4557/4885LMNA 3654/4885CHRM3 2377/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 HTT 4727/4885LMNA 4214/4885CHRM3 3146/4885
US-20230010358-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein MCL1, BCL2A1, BCL2L1 HTT 3250/4885LMNA 949/4885CHRM3 4882/4885

“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.