SCHEMBL4679643

SCHEMBL4679643

NCC[C@@H](N)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.68
HTR2A P28223 2/20 0.56
TAAR1 Q96RJ0 3/20 0.52
DPP4 P27487 2/20 0.50
SCN4A P35499 2/20 0.50
F2 P00734 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL4672036 1.00 HRH1 (0.68) HRH1HTR2ATAAR1DPP4SCN4A
SCHEMBL4672537 1.00 HRH1 (0.68) HRH1HTR2ATAAR1DPP4SCN4A
Hydrochloric Acid SCHEMBL28096115 0.97 HRH1 (0.65) HRH1HTR2ATAAR1DPP4SCN4A
Hydrochloric Acid SCHEMBL11078856 0.97 HRH1 (0.65) HRH1HTR2ATAAR1DPP4SCN4A
Bromide SCHEMBL28853590 0.97 HRH1 (0.65) HRH1HTR2ATAAR1DPP4SCN4A
Iodide SCHEMBL28187751 0.97 HRH1 (0.65) HRH1HTR2ATAAR1DPP4SCN4A
SCHEMBL2784864 0.89 DPP4 (0.55) HRH1HTR2ATAAR1DPP4SCN4A
SCHEMBL2781356 0.89 DPP4 (0.55) HRH1HTR2ATAAR1DPP4SCN4A
SCHEMBL2781359 0.89 DPP4 (0.55) HRH1HTR2ATAAR1DPP4SCN4A
SCHEMBL3634229 0.88 HRH1 (0.68) HRH1HTR2ATAAR1DPP4SCN4A

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-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
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
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 CN disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 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-20030195221-A1 Substituted indolizine-like compounds and methods of use IL1A, IL1B, IL6 HRH1 1104/4885HTR2A 442/4885TAAR1 1574/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A HRH1 681/4885HTR2A 1913/4885TAAR1 1612/4885

“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.