SCHEMBL4049604

SCHEMBL4049604

NNc1nncc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
TDO2 P48775 1/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
GOT1 P17174 2/20 0.38
CYP1A2 P05177 2/20 0.38
MPO P05164 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
MAOA P21397 1/20 0.38
PTGS1 P23219 1/20 0.38
THPO P40225 1/20 0.38
AOX1 Q06278 1/20 0.38

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
SCHEMBL4800478 0.93 MAPT (0.40) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL4805736 0.85 KDM4E (0.42) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL4808609 0.85 KDM4E (0.39) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL4806059 0.77 MAPK14 (0.43) KDR
SCHEMBL4046888 0.77 PTGS2 (0.40) KDM4ESMN1; SMN2MAPTHTTTDO2
SCHEMBL3550447 0.75 GOT1 (0.47) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL4807527 0.75 KDM4E (0.44) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL4798394 0.75 TDO2 (0.42) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL4806361 0.72 KDM4E (0.40) KDM4ESMN1; SMN2LMNAMAPTHTT
SCHEMBL4801865 0.71 TDO2 (0.35) KDM4ESMN1; SMN2LMNAMAPTHTT

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-1699796-A4 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-03-04 EP disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1699796-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-13 EP disclosed
EP-1697370-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
US-7037910-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB (US) 2006-05-02 US disclosed
US-20050192278-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 US disclosed
WO-2005063761-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO disclosed
WO-2005061509-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-07 WO disclosed
US-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BROSTOL-MYERS SQUIBB COMPANY 2005-06-30 US 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-20050192278-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 KDM4E 1110/4885SMN1; SMN2 3838/4885LMNA 4396/4885
US-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR KDM4E 1199/4885SMN1; SMN2 3079/4885LMNA 3559/4885

“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.