SCHEMBL3709711

SCHEMBL3709711

O=C(O)C1CCCCN1C(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ACE P12821 4/20 0.47

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
SCHEMBL3709707 1.00 LMNA (0.53) LMNACYP2C19HSD17B10ACE
SCHEMBL7380987 0.94 LMNA (0.58) LMNACYP2C19HSD17B10ACE
SCHEMBL1681427 0.94 LMNA (0.58) LMNACYP2C19HSD17B10ACE
SCHEMBL1681430 0.94 LMNA (0.58) LMNACYP2C19HSD17B10ACE
Hydrochloric Acid SCHEMBL6325860 0.93 LMNA (0.57) LMNACYP2C19HSD17B10ACE
Hydrochloric Acid SCHEMBL6325863 0.93 LMNA (0.57) LMNACYP2C19HSD17B10ACE
SCHEMBL23013222 0.86 LMNA (0.45) LMNACYP2C19HSD17B10ACE
SCHEMBL5702065 0.86 LMNA (0.45) LMNACYP2C19HSD17B10ACE
SCHEMBL5702261 0.86 LMNA (0.45) LMNACYP2C19HSD17B10ACE
SCHEMBL11922857 0.81 LMNA (0.61) LMNACYP2C19HSD17B10ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US claimed
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP claimed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO claimed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 LMNA 4475/4885CYP2C19 899/4885HSD17B10 2211/4885

“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.