SCHEMBL2487445

SCHEMBL2487445

CCCCC(C)c1cc[c]cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.34
POLB P06746 1/20 0.33
BDKRB2 P30411 1/20 0.33
TSHR P16473 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
ADRB2 P07550 4/20 0.30
SLC2A1 P11166 1/20 0.30
DNM1 Q05193 1/20 0.30

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
SCHEMBL12982442 0.94 OPRM1 (0.37) RIPK1BDKRB2ADRB2SLC2A1
SCHEMBL5265204 0.92 SLC2A1 (0.36) RIPK1SLC2A1DNM1
SCHEMBL10746726 0.92 SLC2A1 (0.36) RIPK1SLC2A1DNM1
SCHEMBL10497055 0.89 BDKRB2 (0.41) BDKRB2
SCHEMBL5461974 0.87 RIPK1 (0.36) RIPK1TAAR1
SCHEMBL6685021 0.84 RIPK1 (0.40) RIPK1POLBBDKRB2TAAR1SLC2A1
SCHEMBL28378978 0.82 RIPK1 (0.33) RIPK1TAAR1
SCHEMBL817130 0.81 NR1I2 (0.38) POLBBDKRB2TSHRSLC2A1DNM1
SCHEMBL317461 0.79 KDM4E (0.42) RIPK1POLBBDKRB2ADRB2
SCHEMBL190051 0.78 RIPK1 (0.55) RIPK1POLBTAAR1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP claimed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US claimed
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN claimed
US-RE36128-E STABILIZER FOR ORGANIC COMPOUNDS ALBEMARLE CORPORATION (US) 1999-03-02 US claimed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
EP-0888262-B1 CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES BASF AG (DE) 2004-06-02 EP disclosed
CN-1140485-C Cycloalkyl derivatives and solid-phase synthesis thereof BASF 2004-03-03 CN disclosed
US-6521780-B1 Cycloalkylmalonic ester derivatives as potential active substances in the drugs and crop protection; combinatorial chemistry BASF AKTIENGESELLSCHAFT (DE) 2003-02-18 US disclosed
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
US-4900675-A ENHANCING IMMUNE RESPONSE SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-02-13 US disclosed
EP-0280938-A1 Antioxidant aromatic fluorophosphites ALBEMARLE CORPORATION (US) 1988-09-07 EP disclosed
CN-87103208-A PHOSPHORAMIDO COMPOUNDS 1988-08-17 CN disclosed
US-4746651-A ANTIBIOTIC AND ALDOGYCOSIDYL-GUANINE OR ISOXANTHOPTERIN IMMUNE RESPONSE-ENHANCING AGENT SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-05-24 US disclosed
EP-0248084-A4 MODULATION OF ANIMAL CELLULAR RESPONSES WITH COMPOSITIONS CONTAINING ISOXANTHOPTERIN-8-(1'-BETA-ALDOGLYCOSIDYL) DERIVATIVES. SCRIPPS CLINIC RES (US) 1988-03-30 EP disclosed
EP-0248084-A1 MODULATION OF ANIMAL CELLULAR RESPONSES WITH COMPOSITIONS CONTAINING ISOXANTHOPTERIN-8-(1'-BETA-ALDOGLYCOSIDYL) DERIVATIVES. SCRIPPS CLINIC RES (US) 1987-12-09 EP disclosed
WO-1987003617-A1 MODULATION OF ANIMAL CELLULAR RESPONSES WITH COMPOSITIONS CONTAINING ISOXANTHOPTERIN-8-(1'-BETA-ALDOGLYCOSIDYL) DERIVATIVES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1987-06-18 WO disclosed
US-4103023-A ANTIULCER, 3,3A,6,6A-TETRAHYDROFURO(3,4-B)FURAN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-07-25 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 (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-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR RIPK1 4822/4885POLB 2003/4885BDKRB2 349/4885

“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.