SCHEMBL5131785

SCHEMBL5131785

NCCCCCn1cccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.42
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
DAO P14920 1/20 0.37
FDPS P14324 1/20 0.35
PIM1 P11309 1/20 0.34
TSHR P16473 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
DNM1 Q05193 1/20 0.33
KCNA3 P22001 1/20 0.33

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
SCHEMBL30923168 0.98 NOS1 (0.43) NOS1TLR8TLR7DAOFDPS
SCHEMBL854767 0.91
Hydrochloric Acid SCHEMBL2247867 0.89 NOS1 (0.40) NOS1TLR8TLR7DAOFDPS
Hydrochloric Acid SCHEMBL3510077 0.89 NOS1 (0.40) NOS1TLR8TLR7DAOFDPS
SCHEMBL7100687 0.87 DAO (0.43) TLR8TLR7DAOFDPSTSHR
SCHEMBL14995729 0.83 DAO (0.37) TLR8TLR7DAOFDPSTSHR
SCHEMBL1026265 0.82
Methylamine SCHEMBL27939089 0.82 TLR8 (0.48) NOS1TLR8TLR7
SCHEMBL11440961 0.81 TBXAS1 (0.47) NOS1TLR8TLR7DAOLMNA
SCHEMBL6114640 0.81 TBXAS1 (0.47) NOS1TLR8TLR7DAOLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235628-B1 1-ARYLPYRAZOLES BAYER AG (DE) 1991-04-24 EP claimed
EP-0269839-A1 5-Acylamino-pyrazole derivatives BAYER AG (DE) 1988-06-08 EP claimed
EP-0242573-A1 5-Acylamino-pyrazole derivatives BAYER AG (DE) 1987-10-28 EP claimed
EP-0235628-A2 1-Arylpyrazoles BAYER AG (DE) 1987-09-09 EP claimed
EP-0233341-A1 5-Heterocyclyl-1-aryl-pyrazole BAYER AG (DE) 1987-08-26 EP claimed
EP-0231510-A2 1-Aryl pyrazoles BAYER AG (DE) 1987-08-12 EP claimed
US-20080045524-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2008-02-21 US disclosed
US-20080045524-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2008-02-21 US disclosed
US-20080045524-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2008-02-21 US disclosed
EP-1816127-A1 TRIAZINE DERIVATIVES FOR USE AS SELECTIVE NPY (Y5) ANTAGONISTS H. Lundbeck A/S (DK) 2007-08-08 EP disclosed
EP-1816127-A1 TRIAZINE DERIVATIVES FOR USE AS SELECTIVE NPY (Y5) ANTAGONISTS H. Lundbeck A/S (DK) 2007-08-08 EP disclosed
US-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 US disclosed
US-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 US disclosed
EP-0231510-A2 1-Aryl pyrazoles BAYER AG (DE) 1987-08-12 EP disclosed
EP-0226156-A2 1-Aryl-pyrazoles BAYER AG (DE) 1987-06-24 EP disclosed
EP-0216102-A1 1-Arylpyrazoles BAYER AG (DE) 1987-04-01 EP disclosed
EP-0212354-A2 1-Aryl pyrazoles BAYER AG (DE) 1987-03-04 EP disclosed
EP-0212353-A2 1-Aryl-5-hydrazino-pyrazoles BAYER AG (DE) 1987-03-04 EP disclosed
EP-0207285-A1 5-Amino-1-pyridyl-pyrazoles BAYER AG (DE) 1987-01-07 EP disclosed
EP-0205022-A2 1-Aryl-5-alkoximinoalkyl amino pyrazoles BAYER AG (DE) 1986-12-17 EP 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-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NOS1 4238/4885TLR8 1274/4885TLR7 565/4885

“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.