SCHEMBL4480091

SCHEMBL4480091

Clc1ncc(CN2CCNC(c3ccccc3)C2)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
KCNJ1 P48048 5/20 0.40
CNR2 P34972 7/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGDS O60760 1/20 0.37
USP30 Q70CQ3 1/20 0.37
PDE10A Q9Y233 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
SCHEMBL3272922 0.86 SIGMAR1 (0.54) LTA4HSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL3272931 0.86 SIGMAR1 (0.54) LTA4HSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL3277741 0.86 SIGMAR1 (0.54) LTA4HSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL4482468 0.82 TRPV6 (0.54) LTA4HKCNJ1CNR2
SCHEMBL3276041 0.81 SIGMAR1 (0.53) LTA4HSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL3274127 0.81 SIGMAR1 (0.53) LTA4HSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL3274123 0.81 SIGMAR1 (0.53) LTA4HSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL3956949 0.81 TP53 (0.56) LTA4HSIGMAR1MEN1KMT2A
SCHEMBL4472074 0.80 BCHE (0.49) LTA4HSIGMAR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3278083 0.80 SIGMAR1 (0.51) LTA4HSIGMAR1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 LTA4H 1547/4885SIGMAR1 254/4885KCNJ1 1915/4885

“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.