SCHEMBL4049747

SCHEMBL4049747

CC(C)(C)c1ccc(C2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.47
ADRA2C P18825 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
HTT P42858 2/20 0.38
CCR1 P32246 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4046956 0.85 ADRA2C (0.46) SHMT2ADRA2CTAS1R3TAS1R1TAS1R2
SCHEMBL4053387 0.85 TAS1R3 (0.46) SHMT2ADRA2CTAS1R3TAS1R1TAS1R2
SCHEMBL13904933 0.85 CCR1 (0.46) SHMT2ADRA2CTAS1R3TAS1R1TAS1R2
SCHEMBL4057583 0.84 SHMT2 (0.43) SHMT2ADRA2CTAS1R3TAS1R1TAS1R2
SCHEMBL4048954 0.83 MAPT (0.51) SHMT2TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL4052272 0.82 TAS1R3 (0.47) SHMT2ADRA2CTAS1R3TAS1R1TAS1R2
SCHEMBL4048628 0.81 CCR1 (0.44) SHMT2ADRA2CTAS1R3TAS1R1TAS1R2
SCHEMBL3955065 0.81 CNR2 (0.40) TAS1R3TAS1R1TAS1R2MAPTMEN1
SCHEMBL3953865 0.80 CNR2 (0.39) TAS1R3TAS1R1TAS1R2MAPTMEN1
SCHEMBL4055918 0.79 EPHX2 (0.43) SHMT2ADRA2CTAS1R3TAS1R1TAS1R2

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
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 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 (1 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-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 SHMT2 884/4885ADRA2C 164/4885TAS1R3 3386/4885

“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.