SCHEMBL744509

SCHEMBL744509

CN(C)C(=O)c1ccc(C2CCC(=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.56
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP30 Q70CQ3 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HSD11B1 P28845 2/20 0.39
CYP2C9 P11712 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TSHR P16473 1/20 0.37
FASN P49327 1/20 0.37
HDAC3 O15379 1/20 0.36

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
SCHEMBL8578954 0.84 ESR2 (0.53) ESR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL31700659 0.80 LIMK2 (0.49) ALDH1A1HPGDSMN1; SMN2USP30CYP2C9
SCHEMBL3670111 0.79 ESR2 (0.63) ESR2ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL21628489 0.79 HPGD (0.71) ALDH1A1HPGDSMN1; SMN2USP30HDAC1
SCHEMBL14403055 0.78 ESR2 (0.78) ESR2HDAC1HDAC8HDAC6PDE4A
SCHEMBL7888980 0.77 ESR2 (0.61) ESR2ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL247920 0.77 ESR2 (0.61) ESR2ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL22047765 0.77 KDM4E (0.49) ESR2SMN1; SMN2HSD11B1PDE4APDE4B
SCHEMBL19993940 0.77 ESR2 (0.56) ESR2ALDH1A1HPGDSMN1; SMN2HDAC1
SCHEMBL614371 0.77 ESR2 (0.56) ESR2ALDH1A1HPGDSMN1; SMN2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912498-B1 4(4-OXOCYCLOHEXYL) BENZAMIDES AS INTERMEDIATE PRODUCTS FOR MEDICAMENTS MERCK PATENT GMBH (DE) 2004-05-12 EP claimed
US-6177594-B1 IN SYNTHESIZING A DRUG COMPOUND THE TITLE COMPOUND IS REDUCED BY REACTION WITH A COMPLEX METAL HYDRIDE; PREPARATION OF THE BENZAMIDE INCLUDES AMINATION OF THE CORRESPONDING ACYL HALIDE, CARBOXY OR ESTER WITH A SECONDARY AMINE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-01-23 US claimed
EP-0912498-A1 4(4-OXOCYCLOHEXYL) BENZAMIDES AS INTERMEDIATE PRODUCTS FOR MEDICAMENTS MERCK PATENT GmbH (DE) 1999-05-06 EP claimed
WO-1998001420-A1 4(4-OXOCYCLOHEXYL) BENZAMIDES AS INTERMEDIATE PRODUCTS FOR MEDICAMENTS MERCK PATENT GMBH (DE) 1998-01-15 WO claimed
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2021-01-05 US disclosed
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2021-01-05 US disclosed
EP-3515914-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BeiGene, Ltd. (KY) 2019-07-31 EP disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed
CN-102153539-B As the 3-amino-pyrrolidine derivatives of chemokine receptor modulators Because of C1-esteraseremmer-N parent corporation (US) 2016-01-13 CN disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US disclosed
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO disclosed
EP-0912498-B1 4(4-OXOCYCLOHEXYL) BENZAMIDES AS INTERMEDIATE PRODUCTS FOR MEDICAMENTS MERCK PATENT GMBH (DE) 2004-05-12 EP disclosed
US-6177594-B1 IN SYNTHESIZING A DRUG COMPOUND THE TITLE COMPOUND IS REDUCED BY REACTION WITH A COMPLEX METAL HYDRIDE; PREPARATION OF THE BENZAMIDE INCLUDES AMINATION OF THE CORRESPONDING ACYL HALIDE, CARBOXY OR ESTER WITH A SECONDARY AMINE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-01-23 US disclosed
WO-1998015522-A2 METHOD FOR PREPARING TRANS-4-(4-AMINOMETHYLPHENYL) CYCLOHEXANOL DERIVATIVES SYNTHELABO (FR) 1998-04-16 WO 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 (2 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-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases IDO1, TPH1, IDO2 ESR2 4151/4885ALDH1A1 621/4885HPGD 135/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 ESR2 902/4885ALDH1A1 2501/4885HPGD 2545/4885

“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.