SCHEMBL4672117

SCHEMBL4672117

C[C@@H](CN)[C@H](N)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
DPP4 P27487 2/20 0.56
HTR2A P28223 1/20 0.52
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.45
F2 P00734 1/20 0.44
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6933824 1.00 TAAR1 (0.58) TAAR1DPP4HTR2AADRA2AADRA2C
SCHEMBL7210205 1.00 TAAR1 (0.58) TAAR1DPP4HTR2AADRA2AADRA2C
SCHEMBL6935886 1.00 TAAR1 (0.58) TAAR1DPP4HTR2AADRA2AADRA2C
SCHEMBL4678318 1.00 TAAR1 (0.58) TAAR1DPP4HTR2AADRA2AADRA2C
SCHEMBL7241817 0.94 TAAR1 (0.52) TAAR1DPP4HTR2AADRA2AADRA2C
SCHEMBL20525542 0.88 TAAR1 (0.41) TAAR1DPP4HTR2AHIF1AKDM4E
SCHEMBL2192530 0.82 DPP4 (0.56) TAAR1DPP4ADRA2AADRA2CLMNA
SCHEMBL4089559 0.80 DPP4 (0.54) TAAR1DPP4ADRA2AADRA2CLMNA
SCHEMBL22050522 0.80 DPP4 (0.54) TAAR1DPP4ADRA2AADRA2CLMNA
SCHEMBL7210203 0.80 DPP4 (0.54) TAAR1DPP4ADRA2AADRA2CLMNA

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 15 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
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
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B TAAR1 2185/4885DPP4 301/4885HTR2A 2608/4885
US-20030195221-A1 Substituted indolizine-like compounds and methods of use IL1A, IL1B, IL6 TAAR1 1574/4885DPP4 214/4885HTR2A 442/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A TAAR1 1612/4885DPP4 361/4885HTR2A 1913/4885

“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.