SCHEMBL15064495

SCHEMBL15064495

CCN(CC)c1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 1.00
ALDH1A1 P00352 1/20 0.68
TSHR P16473 1/20 0.68
ESRRG P62508 1/20 0.54
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51

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
SCHEMBL15087635 0.83 CNR2 (0.71) CNR2ALDH1A1MEN1NPC1RAB9A
SCHEMBL19803884 0.82 CNR2 (0.68) CNR2ALDH1A1
SCHEMBL22534206 0.79 CNR2 (0.63) CNR2ALDH1A1NPC1RAB9A
SCHEMBL15064280 0.78 CNR2 (1.00) CNR2ALDH1A1TSHRMEN1RAB9A
SCHEMBL15064748 0.77 CNR2 (1.00) CNR2ALDH1A1TSHRMEN1NPC1
SCHEMBL15064657 0.77 CNR2 (1.00) CNR2ALDH1A1TSHRMEN1KMT2A
SCHEMBL15064656 0.77 CNR2 (1.00) CNR2ALDH1A1TSHRMEN1KMT2A
SCHEMBL10319749 0.76 CNR2 (0.61) CNR2ALDH1A1TSHRESRRGMEN1
SCHEMBL15064560 0.76 CNR2 (1.00) CNR2ALDH1A1TSHRMEN1NPC1
SCHEMBL3680858 0.75 KMT2A (0.71) CNR2ALDH1A1ESRRGMEN1NPC1

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 6 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
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 1/4885ALDH1A1 4617/4885TSHR 870/4885
US-20170001949-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES CNR2, CNR1, GPR3 CNR2 1/4885ALDH1A1 4572/4885TSHR 780/4885
US-20130172388-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES CNR2, CNR1, GPR3 CNR2 1/4885ALDH1A1 4617/4885TSHR 870/4885

“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.