SCHEMBL15064211

SCHEMBL15064211

O=C(Cc1ccc(C(F)(F)F)cc1)NC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.78
HTT P42858 1/20 0.58
UTS2R Q9UKP6 3/20 0.55
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CNR1 P21554 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL15064810 0.94 CNR2 (0.86) CNR2UTS2RCNR1HDAC1HDAC8
SCHEMBL15064483 0.87 CNR2 (0.76) CNR2UTS2RCNR1HDAC1HDAC8
SCHEMBL15064502 0.87 CNR2 (1.00) CNR2UTS2RCNR1
SCHEMBL15064721 0.85 CNR2 (0.72) CNR2HTTUTS2RALDH1A1CNR1
SCHEMBL15064779 0.82 CNR2 (1.00) CNR2HTTKDM4EALDH1A1CYP3A4
SCHEMBL5753769 0.78 CNR2 (0.61) CNR2HTTUTS2RKDM4EALDH1A1
SCHEMBL15064531 0.78 CNR2 (0.74) CNR2UTS2RHDAC1HDAC8
SCHEMBL8802827 0.74 HTT (1.00) CNR2HTTTDP1KDM4EALDH1A1
SCHEMBL15012212 0.73 CNR2 (0.66) CNR2UTS2RKDM4EALDH1A1CYP3A4
SCHEMBL714137 0.73 HDAC1 (0.63) CNR2KDM4EALDH1A1HDAC1HDAC8

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-20170001949-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-01-05 US disclosed
US-9376380-B2 Cannabinoid receptor 2 (CB2) inverse agonists and therapeutic potential for multiple myeloma and osteoporosis bone diseases University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-06-28 US disclosed
US-20140296294-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES UNIV PITTSBURGH (US) 2014-10-02 US disclosed
US-8772541-B2 Cannabinoid receptor 2 (CB2) inverse agonists and therapeutic potential for multiple myeloma and osteoporosis bone diseases University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-07-08 US disclosed
US-20130172388-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-07-04 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 (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-20140296294-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES CNR2, CNR1, GPR3 CNR2 1/4885HTT 3836/4885UTS2R 449/4885
US-20170001949-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES CNR2, CNR1, GPR3 CNR2 1/4885HTT 3883/4885UTS2R 432/4885
US-20130172388-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES CNR2, CNR1, GPR3 CNR2 1/4885HTT 3836/4885UTS2R 449/4885

“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.