SCHEMBL15064416

SCHEMBL15064416

CCCCCCCCCC(=O)NC(NC(=O)CCCCCCCCC)c1ccc(N(CC)CC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 1.00
ALDH1A1 P00352 2/20 0.64
TSHR P16473 1/20 0.64
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
HKDC1 Q2TB90 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ASAH1 Q13510 1/20 0.48
ACER2 Q5QJU3 1/20 0.48
MEN1 O00255 1/20 0.47
FAAH O00519 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
SCHEMBL15064654 1.00 CNR2 (1.00) CNR2ALDH1A1TSHRHDAC3HDAC4
SCHEMBL15064471 0.99 CNR2 (1.00) CNR2ALDH1A1TSHRHDAC3HDAC4
SCHEMBL15065006 0.94 CNR2 (1.00) CNR2ALDH1A1TSHRHDAC3HDAC4
SCHEMBL9763082 0.81 ASAH1 (0.69) CNR2ALDH1A1ASAH1ACER2MEN1
SCHEMBL15064280 0.78 CNR2 (1.00) CNR2ALDH1A1TSHRMEN1KMT2A
SCHEMBL15064748 0.75 CNR2 (1.00) CNR2ALDH1A1TSHRMEN1KMT2A
SCHEMBL15064560 0.74 CNR2 (1.00) CNR2ALDH1A1TSHRMEN1KMT2A
SCHEMBL26418410 0.70 HDAC3 (0.54) CNR2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7024489 0.70 HDAC3 (0.66) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14071604 0.70 CNR2 (0.53) CNR2ALDH1A1TSHRHDAC3HDAC4

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 1/4885ALDH1A1 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.