SCHEMBL3903106

SCHEMBL3903106

NCc1ccc(CN2CCCC2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
HRH3 Q9Y5N1 1/20 0.59
ACACB O00763 1/20 0.54
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
GRIA2 P42262 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45
PDPK1 O15530 1/20 0.45
DYRK3 O43781 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
ERBB2 P04626 1/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL11200681 0.91 L3MBTL1 (0.76) L3MBTL1HRH3ACACBMAPK1KMT2A
SCHEMBL11010729 0.87 L3MBTL1 (0.58) L3MBTL1HRH3ACACBMAPK1KMT2A
SCHEMBL632892 0.86 L3MBTL1 (0.65) L3MBTL1HRH3ACACBMAPK1KMT2A
Hydrochloric Acid SCHEMBL2312230 0.85 L3MBTL1 (0.59) L3MBTL1HRH3ACACBMAPK1KMT2A
SCHEMBL10399987 0.84 L3MBTL1 (0.67) L3MBTL1HRH3ACACBKMT2AGRIA2
SCHEMBL19717008 0.84 L3MBTL1 (0.67) L3MBTL1HRH3ACACBMAPK1KMT2A
SCHEMBL10719943 0.83 L3MBTL1 (0.58) L3MBTL1HRH3ACACBMAPK1KMT2A
SCHEMBL12387514 0.83 L3MBTL1 (0.66) L3MBTL1HRH3ACACBMAPK1KMT2A
SCHEMBL256037 0.82 L3MBTL1 (0.65) L3MBTL1HRH3ACACBMAPK1KMT2A
SCHEMBL2223756 0.82 L3MBTL1 (0.70) L3MBTL1HRH3ACACBMAPK1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0136658-A2 -1-Benzyl-aminoalkyl-pyrrolidinones and their addition salts, process for their preparation and pharmaceutical compounds containing them BOEHRINGER INGELHEIM KG (DE) 1985-04-10 EP claimed
WO-2023177700-A2 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2023-09-21 WO disclosed
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
EP-1379236-A4 TREATMENT OF TICS, TREMORS AND RELATED DISORDERS UCB SA (BE) 2009-01-21 EP disclosed
EP-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
WO-2005074939-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2005-08-18 WO disclosed
EP-1379236-A1 TREATMENT OF TICS, TREMORS AND RELATED DISORDERS The Johns Hopkins University (US) 2004-01-14 EP disclosed
WO-2002067931-A1 TREATMENT OF TICS, TREMORS AND RELATED DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2002-09-06 WO disclosed
US-4996224-A 1-benzyl-4- or 5-pyrrolidinomethyl-pyrrolidin-2-ones and nootropic method of use thereof BOEHRINGER INGELHEIM KG (DE) 1991-02-26 US disclosed
EP-0163260-A1 Novel substituted pyrrolidinones, process for their manufacture and pharmaceutics BOEHRINGER INGELHEIM KG (DE) 1985-12-04 EP disclosed
EP-0136658-A2 -1-Benzyl-aminoalkyl-pyrrolidinones and their addition salts, process for their preparation and pharmaceutical compounds containing them BOEHRINGER INGELHEIM KG (DE) 1985-04-10 EP 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-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases RORA, RORC, RORB L3MBTL1 4748/4885HRH3 366/4885ACACB 631/4885
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC L3MBTL1 4725/4885HRH3 730/4885ACACB 281/4885

“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.