SCHEMBL787345

SCHEMBL787345

O=C1NCCN1CCNCc1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.72
MMP13 P45452 1/20 0.50
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL787416 0.84 SCN9A (1.00) SCN9A
SCHEMBL8228037 0.81 ALDH1A1 (0.63) SCN9AALDH1A1POLB
SCHEMBL787276 0.79 SCN9A (1.00) SCN9A
SCHEMBL787786 0.79 SCN9A (1.00) SCN9A
SCHEMBL787312 0.77 SCN9A (1.00) SCN9A
SCHEMBL8227575 0.76 DPP7 (0.54) SCN9AALDH1A1POLB
SCHEMBL787561 0.74 SCN9A (1.00) SCN9A
SCHEMBL8809055 0.72 KDM4E (0.71) ALDH1A1
SCHEMBL5947593 0.70 LTA4H (0.79) ALDH1A1
SCHEMBL184636 0.70 LTA4H (0.65) ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US claimed
EP-2616441-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2013-07-24 EP claimed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO claimed
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
EP-2616441-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2013-07-24 EP disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 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-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 SCN9A 148/4885MMP13 4511/4885ALDH1A1 172/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SCN9A 148/4885MMP13 4511/4885ALDH1A1 172/4885

“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.