SCHEMBL4048628

SCHEMBL4048628

CC(C)(C)c1ccc(CC2c3cccn3CCCN2C(=O)Nc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.44
SHMT2 P34897 1/20 0.40
CNR2 P34972 2/20 0.39
KMT2A Q03164 3/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA2C P18825 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4053409 0.89 TAS1R3 (0.44) CCR1SHMT2KMT2ATAS1R3TAS1R1
SCHEMBL4055029 0.84 EEF2K (0.41) CCR1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4046956 0.82 ADRA2C (0.46) CCR1SHMT2CNR2KMT2ATAS1R3
SCHEMBL4049747 0.81 SHMT2 (0.47) CCR1SHMT2CNR2KMT2ATAS1R3
SCHEMBL13904933 0.78 CCR1 (0.46) CCR1SHMT2TAS1R3TAS1R1TAS1R2
SCHEMBL4053387 0.78 TAS1R3 (0.46) SHMT2KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL4052272 0.77 TAS1R3 (0.47) SHMT2KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL4057583 0.77 SHMT2 (0.43) SHMT2KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL4052023 0.76 RAB9A (0.41) CCR1SHMT2KMT2ATAS1R3TAS1R1
SCHEMBL3955065 0.76 CNR2 (0.40) CCR1CNR2KMT2ATAS1R3TAS1R1

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 CCR1 596/4885SHMT2 884/4885CNR2 1/4885

“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.