SCHEMBL4673136

SCHEMBL4673136

CC(C)(CN)C(N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.45
HTR2A P28223 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
HRH1 P35367 1/20 0.41
SCN4A P35499 2/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL16012043 0.83 DPP4 (0.42) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4673127 0.81 DPP4 (0.41) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29167063 0.81 SLC6A2 (0.42) TAAR1SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL1162293 0.81 LMNA (0.42) SLC6A2SLC6A4SLC6A3DPP4F2
SCHEMBL20746075 0.81 LMNA (0.42) SLC6A2SLC6A4SLC6A3DPP4F2
SCHEMBL1355671 0.79
SCHEMBL8761844 0.79 DPP4 (0.52) TAAR1SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL8761852 0.79 DPP4 (0.52) TAAR1SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL1358135 0.79 DPP4 (0.52) TAAR1SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL17724513 0.78 SCN4A (0.40) TAAR1DPP4F2SCN4ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042293-B9 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC (US) 2008-09-03 EP disclosed
EP-1042293-B1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC (US) 2008-03-19 EP disclosed
CN-1328277-C Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2007-07-25 CN disclosed
EP-1448564-B1 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-04-19 EP disclosed
US-6921762-B2 Substituted indolizine-like compounds and methods of use AMGEN INC. (US) 2005-07-26 US disclosed
EP-1448564-A2 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2004-08-25 EP disclosed
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-20030195221-A1 Substituted indolizine-like compounds and methods of use AMGEN INC. 2003-10-16 US disclosed
WO-2003044021-A2 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2003-05-30 WO disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6174901-B1 FOR TREATMENT OF RHEUMATOID ARTHRITIS, PAGETS DISEASE, OSTEOPHOROSIS, MULTIPLE MYELOMA, UVEITITIS, ACUTE OR CHRONIC MYELOGENOUS LEUKEMIA, PANCREATIC .BETA. CELL DESTRUCTION, OSTEOARTHRITIS, RHEUMATOID SPONDYLITIS, GOUTY ARTHRITIS ETC. AMGEN INC. 2001-01-16 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
CN-1246857-A Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2000-03-08 CN 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-20030195221-A1 Substituted indolizine-like compounds and methods of use IL1A, IL1B, IL6 TAAR1 1574/4885HTR2A 442/4885SLC6A2 2552/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A TAAR1 1612/4885HTR2A 1913/4885SLC6A2 3402/4885

“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.