SCHEMBL2844072

SCHEMBL2844072

N#CC1=CCN(c2ncccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.48
DRD4 P21917 1/20 0.39
RIPK1 Q13546 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL8297457 0.83 TRPV1 (0.56) TRPV1DRD2HTR2A
SCHEMBL11888554 0.78 TRPV1 (0.51) TRPV1DRD4
SCHEMBL2841920 0.77 TRPV1 (0.61) TRPV1
SCHEMBL2843555 0.76 TRPV1 (0.60) TRPV1
SCHEMBL2844754 0.71 LMNA (0.59) TRPV1DRD4
SCHEMBL937918 0.70 CYP1A2 (0.53) TRPV1DRD4
SCHEMBL8299217 0.69 TRPV1 (0.52) TRPV1
SCHEMBL2838608 0.68 RIPK1 (0.44) TRPV1DRD4RIPK1
SCHEMBL1725284 0.66 CYP1A2 (0.56) DRD4
SCHEMBL1758382 0.66 EPHX2 (0.64) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091936-B1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA LP (US) 2013-05-15 EP disclosed
EP-2091936-B1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA LP (US) 2013-05-15 EP disclosed
US-8389549-B2 Substituted pyridines useful for treating pain PURDUE PHARMA L.P. (US) 2013-03-05 US disclosed
US-8389549-B2 Substituted pyridines useful for treating pain PURDUE PHARMA L.P. (US) 2013-03-05 US disclosed
US-8389549-B2 Substituted pyridines useful for treating pain PURDUE PHARMA L.P. (US) 2013-03-05 US disclosed
EP-2479173-A1 Therapeutic agents useful for treating pain Purdue Pharma LP (US) 2012-07-25 EP disclosed
EP-2479173-A1 Therapeutic agents useful for treating pain Purdue Pharma LP (US) 2012-07-25 EP disclosed
US-20100130552-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. 2010-05-27 US disclosed
US-20100130552-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. 2010-05-27 US disclosed
US-20100130552-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. 2010-05-27 US disclosed
EP-2091936-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN Purdue Pharma LP (US) 2009-08-26 EP disclosed
WO-2008133973-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (DE) 2008-11-06 WO disclosed
WO-2008133973-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (DE) 2008-11-06 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-20100130552-A1 Therapeutic Agents Useful for Treating Pain ARRB1, OPRK1, OPRD1 TRPV1 48/4885DRD4 2300/4885RIPK1 3469/4885

“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.