SCHEMBL2085113

SCHEMBL2085113

CC1CCN(c2c(-c3ccccc3Cl)cnc3c(C(=O)O)cnn23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
HSD11B1 P28845 2/20 0.42
ALDH1A1 P00352 8/20 0.41
RAB9A P51151 7/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 6/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
STAT6 P42226 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2086791 0.87 KDM4E (0.46) KMT2AALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL4120324 0.86 GPR119 (0.39) KMT2AALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL2086167 0.83 ALDH1A1 (0.37) KMT2AHSD11B1ALDH1A1RAB9AMAPT
SCHEMBL4121602 0.79 KDM4E (0.46) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL4120972 0.78 KDM4E (0.44) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL4129151 0.76 KDM4E (0.49) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL2084476 0.73 CNR1 (0.36) KMT2AMAPK1MEN1CNR2
SCHEMBL8983202 0.73 CNR1 (0.43) KMT2AHSD11B1ALDH1A1RAB9AMAPT
SCHEMBL2083955 0.72 RAB9A (0.51) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL2085537 0.72 TYK2 (0.37) KMT2AMEN1CNR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-2035427-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORP (JP) 2013-12-11 EP disclosed
EP-2520577-B1 Pyrazolo[1,5-a]pyrimidine compounds as cb1 receptor antagonists MITSUBISHI TANABE PHARMA CORP (JP) 2013-12-11 EP disclosed
EP-2520577-A1 Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists Mitsubishi Tanabe Pharma Corporation (JP) 2012-11-07 EP disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 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 (2 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-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR KMT2A 2533/4885HSD11B1 3714/4885ALDH1A1 2507/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR KMT2A 2273/4885HSD11B1 3552/4885ALDH1A1 2256/4885

“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.