SCHEMBL3561069

SCHEMBL3561069

Clc1ccc(-c2c(Cl)nnc(Cl)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.47
RPA1 P27694 1/20 0.43
CASP1 P29466 1/20 0.42
IKBKB O14920 1/20 0.42
MAP3K14 Q99558 1/20 0.42
NOTUM Q6P988 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
MGAM O43451 1/20 0.41

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
SCHEMBL3558118 0.88 GCGR (0.55) LMNAKDM4ECYP1A2MAPTRAB9A
SCHEMBL4391202 0.86 CASP1 (0.40) LMNACYP2A6KDM4ECYP1A2HSD17B10
SCHEMBL3550447 0.81 GOT1 (0.47) LMNAKDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL11223011 0.81 LMNA (0.61) LMNACYP2A6KDM4ECYP1A2HSD17B10
SCHEMBL3580504 0.79 NPC1 (0.42) KDM4ECYP1A2HSD17B10ALDH1A1MAPK1
SCHEMBL4805776 0.79 KDM4E (0.38) LMNACYP2A6KDM4ECYP1A2HSD17B10
SCHEMBL4395903 0.78 GCGR (0.46) LMNAKDM4EMAPK1CASP1RAB9A
SCHEMBL4046888 0.78 PTGS2 (0.40) KDM4ECYP1A2HSD17B10ALDH1A1MAPK1
SCHEMBL3570121 0.77 NPC1 (0.47) LMNAKDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL3569381 0.77 CNR2 (0.42) LMNAKDM4ECYP1A2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891074-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-07-11 EP disclosed
EP-1891074-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-07-11 EP disclosed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
US-7629342-B2 Regulation of appetite, antiemetics, immunosuppression, analgesia, inflammation, antinocioception, sedation, and intraocular pressure; synergistic; 2-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-08 US disclosed
US-7629342-B2 Regulation of appetite, antiemetics, immunosuppression, analgesia, inflammation, antinocioception, sedation, and intraocular pressure; synergistic; 2-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-08 US disclosed
US-7629342-B2 Regulation of appetite, antiemetics, immunosuppression, analgesia, inflammation, antinocioception, sedation, and intraocular pressure; synergistic; 2-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-08 US disclosed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP disclosed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 WO disclosed
EP-1891074-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2008-02-27 EP disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
WO-2006138682-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287323-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
EP-1697371-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
US-20050171110-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 US disclosed
WO-2005063762-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 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 (3 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-20060287323-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 LMNA 4393/4885CYP2A6 325/4885KDM4E 1178/4885
US-20050171110-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 LMNA 3471/4885CYP2A6 441/4885KDM4E 1176/4885
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP1A2, CYP1A1 LMNA 3036/4885CYP2A6 90/4885KDM4E 540/4885

“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.