SCHEMBL4674867

SCHEMBL4674867

NCC(N)Cc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
IDO1 P14902 2/20 0.45
DPP4 P27487 11/20 0.44
DPP7 Q9UHL4 3/20 0.44
AOC3 Q16853 1/20 0.40
MAOB P27338 2/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 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
SCHEMBL7216586 1.00 TAAR1 (0.54) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7235535 0.85 DPP4 (0.45) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL5225287 0.82 DPP4 (0.47) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7214170 0.82 TAAR1 (0.47) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7955916 0.82 DPP4 (0.47) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL3131950 0.82 DPP4 (0.47) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL3674139 0.80 TAAR1 (0.54) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL13995122 0.79 AOC3 (0.44) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1467599 0.78 TAAR1 (0.52) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL978947 0.77 DPP4 (0.57) DPP4DPP7DPP8DPP9

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 25 patents — showing the first 20. 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
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
WO-2003044021-A2 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2003-05-30 WO disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
CN-1284945-A Substituted pyriding and pyridazine compounds and their pharmaceutical use AMGEN INC (US) 2001-02-21 CN 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
EP-1042293-A1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE Amgen Inc. (US) 2000-10-11 EP 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
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1999032448-A1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 1999-07-01 WO disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE 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 (1 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 1574/4885CYP3A4 139/4885CYP2D6 42/4885

“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.