SCHEMBL2844754

SCHEMBL2844754

O=C1CCN(c2ncccc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 3/20 0.44
DRD4 P21917 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
GRM1 Q13255 2/20 0.41
HSD11B1 P28845 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL937918 0.82 CYP1A2 (0.53) MAPTALDH1A1L3MBTL1TRPV1DRD4
SCHEMBL1370146 0.79 LMNA (0.59) LMNATRPV1HSD11B1
SCHEMBL8299219 0.79 LMNA (0.59) LMNATRPV1HSD11B1
SCHEMBL1369593 0.79 EPHX2 (0.66) LMNAMAPTHSD11B1EPHX2
SCHEMBL29392900 0.78 MAPT (0.45) MAPTALDH1A1L3MBTL1TRPV1DRD4
SCHEMBL1725284 0.77 CYP1A2 (0.56) LMNAALDH1A1DRD4CYP1A2CYP2C9
SCHEMBL10964078 0.77 HRH4 (0.53) MAPTDRD4MAPK1
SCHEMBL1758382 0.77 EPHX2 (0.64) ALDH1A1EPHX2
SCHEMBL13271105 0.77 LMNA (0.56) LMNAHSD11B1CYP1A2CYP2C9CYP2C19
SCHEMBL10964762 0.77 ALDH1A1 (0.50) LMNAMAPTALDH1A1L3MBTL1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680118-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2014-03-25 US disclosed
US-8680118-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2014-03-25 US disclosed
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
US-20130012541-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2013-01-10 US disclosed
US-20130012541-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2013-01-10 US disclosed
EP-2479173-A1 Therapeutic agents useful for treating pain Purdue Pharma LP (US) 2012-07-25 EP disclosed
EP-2091936-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN Purdue Pharma LP (US) 2009-08-26 EP disclosed
EP-2060260-A1 Therapeutic agents useful for treating pain Euro-Celtique S.A. (LU) 2009-05-20 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
EP-1862458-B1 Therapeutic agents useful for treating pain EURO CELTIQUE SA (LU) 2008-11-05 EP disclosed
EP-1862458-A2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-12-05 EP disclosed
EP-1631285-B1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2007-08-08 EP disclosed
US-20070027159-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2007-02-01 US disclosed
US-20070027159-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2007-02-01 US disclosed
WO-2005004866-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE, S.A. (LU) 2005-01-20 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-20070027159-A1 Therapeutic agents useful for treating pain ARRB1, FPR1, OPRL1 LMNA 4683/4885MAPT 2150/4885ALDH1A1 875/4885
US-20130012541-A1 Therapeutic Agents Useful for Treating Pain ARRB1, FPR1, OPRL1 LMNA 4683/4885MAPT 2150/4885ALDH1A1 875/4885

“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.