SCHEMBL3587464

SCHEMBL3587464

O=C1OCCN1c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CMA1 P23946 5/20 0.36
CXCR3 P49682 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
ADRB1 P08588 1/20 0.35
SYK P43405 1/20 0.35
CCR6 P51684 1/20 0.34
MTOR P42345 1/20 0.33

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
SCHEMBL3589083 0.79 MEN1 (0.49)
SCHEMBL4885970 0.77 EGLN2 (0.35) CMA1ELOVL6EGLN2CCR6MTOR
SCHEMBL30980973 0.76 PIK3CD (0.39) CMA1EGLN2
SCHEMBL30669251 0.73 FADS1 (0.50)
SCHEMBL3927618 0.72 EGLN2 (0.36) CMA1ELOVL6EGLN2MTOR
SCHEMBL6099462 0.72 TNKS (0.45) CMA1ELOVL6
SCHEMBL26298453 0.71 EGLN2 (0.40) CMA1EGLN2MTOR
SCHEMBL30980936 0.71 DRD2 (0.40) FFAR4CMA1
SCHEMBL18205437 0.70 ADRB1 (0.49) FFAR4ADRB1
SCHEMBL5486378 0.70 PRKAG1 (0.40) CMA1EGLN2ADRB1

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 5 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 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 PSEN1 466/4885PSEN2 825/4885APH1B 656/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PSEN1 466/4885PSEN2 825/4885APH1B 656/4885

“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.