SCHEMBL3589340

SCHEMBL3589340

[CH2]n1cc(-c2cc(F)cc(F)c2)nn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 5/20 0.37
▸ LGALS1 P09382 2/20 0.37
▸ STS P08842 1/20 0.35
▸ FLT3 P36888 1/20 0.33
▸ CHRNB2 P17787 3/20 0.32
▸ CHRNB4 P30926 3/20 0.32
▸ CHRNA3 P32297 3/20 0.32
▸ CHRNA7 P36544 3/20 0.32
▸ CHRNA4 P43681 3/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA9 Q16790 2/20 0.31

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
SCHEMBL3593842 0.82 CHRNB2 (0.49) LGALS3LGALS1CHRNB2CHRNB4CHRNA3
SCHEMBL3589343 0.76 LGALS3 (0.37) LGALS3LGALS1STSCYP1B1ADORA2A
SCHEMBL12722348 0.67 SIGMAR1 (0.44) STSFLT3CHRNB2CHRNB4CHRNA3
SCHEMBL12722346 0.64 NOTUM (0.52) LGALS3STSFLT3CYP1B1
SCHEMBL20868458 0.63 GSK3B (0.39) LGALS3LGALS1
SCHEMBL22821500 0.60 LGALS3 (0.37) LGALS3LGALS1
SCHEMBL19665087 0.60 CA12 (0.50) CA12CA9
SCHEMBL23528103 0.60 HSD17B1 (0.64) STSFLT3CYP1B1CA12CA9
SCHEMBL14557168 0.60 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL29889806 0.58 NOTUM (0.35) ADORA2AADORA1

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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 — — US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 — — US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 — — EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 — — WO claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 — — US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 — — US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 — — US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 — — EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 — — 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 (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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH LGALS3 3007/4885LGALS1 1651/4885STS 3708/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH LGALS3 3007/4885LGALS1 1651/4885STS 3708/4885

“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.

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