SCHEMBL15064749

SCHEMBL15064749

O=C(Cc1ccccc1)NC(/C=C/c1ccccc1)NC(=O)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 1.00
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP1A2 P05177 1/20 0.50
PSMB8 P28062 1/20 0.49
PSMB5 P28074 1/20 0.49
POLB P06746 1/20 0.49
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL15064750 1.00 CNR2 (1.00) CNR2MEN1KMT2AHDAC8HDAC6
SCHEMBL15087787 0.84 CNR2 (0.71) CNR2MEN1KMT2APOLBALDH1A1
SCHEMBL9783328 0.75 POLB (0.67) CNR2MEN1KMT2AHDAC8HDAC6
SCHEMBL27865872 0.75 CNR2 (0.59) CNR2MEN1KMT2AHDAC8HDAC6
SCHEMBL7674546 0.72 POLB (0.67) CNR2MEN1KMT2AHDAC8HDAC6
SCHEMBL9175588 0.72 MEN1 (0.59) CNR2MEN1KMT2AHDAC8HDAC6
SCHEMBL9561116 0.71 MEN1 (0.67) CNR2MEN1KMT2AHDAC8HDAC6
SCHEMBL10504767 0.71 ITGB3 (0.65) CNR2PSMB8PSMB5
SCHEMBL4144668 0.71 ITGB3 (0.65) CNR2PSMB8PSMB5
SCHEMBL6137656 0.71 CNR2 (0.59) CNR2MEN1KMT2AHDAC8HDAC6

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 10 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-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-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-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-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
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 1/4885MEN1 2176/4885KMT2A 2385/4885
US-20170001949-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES CNR2, CNR1, GPR3 CNR2 1/4885MEN1 1834/4885KMT2A 2167/4885
US-20130172388-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES CNR2, CNR1, GPR3 CNR2 1/4885MEN1 2176/4885KMT2A 2385/4885

“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.