SCHEMBL15065015

SCHEMBL15065015

CCN(CC)c1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
KDM4E B2RXH2 5/20 0.51
GAA P10253 5/20 0.51
CNR2 P34972 7/20 0.49
RAB9A P51151 4/20 0.45
MAPT P10636 8/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH3A1 P30838 1/20 0.45
ALDH1A3 P47895 1/20 0.45
GFER P55789 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
CNR1 P21554 1/20 0.40
MEN1 O00255 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HBB P68871 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL15065014 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EGAACNR2RAB9A
SCHEMBL15029093 0.74 KMT2A (0.51) ALDH1A1GAACNR2RAB9AMAPT
SCHEMBL3360419 0.74 SIGMAR1 (0.43) KMT2AL3MBTL1
SCHEMBL11437324 0.74 SIGMAR1 (0.49) ALDH1A1CNR2RAB9AMAPTGFER
SCHEMBL22340868 0.74 SIGMAR1 (0.49) ALDH1A1CNR2RAB9AMAPTGFER
SCHEMBL11748009 0.71 ALDH1A1 (0.71) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL22198242 0.71 ALDH1A1 (0.71) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL19265203 0.70 ALDH1A1 (0.69) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL12878345 0.70 ALDH1A1 (0.69) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL13162985 0.69 ALDH1A1 (0.65) ALDH1A1KDM4EGAARAB9AMAPT

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 ALDH1A1 4617/4885KDM4E 1476/4885GAA 4852/4885
US-20170001949-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES CNR2, CNR1, GPR3 ALDH1A1 4572/4885KDM4E 1271/4885GAA 4848/4885
US-20130172388-A1 NOVEL CANNABINOID RECEPTOR 2 (CB2) INVERSE AGONISTS AND THERAPEUTIC POTENTIAL FOR MULTIPLE MYELOMA AND OSTEOPOROSIS BONE DISEASES CNR2, CNR1, GPR3 ALDH1A1 4617/4885KDM4E 1476/4885GAA 4852/4885

“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.