SCHEMBL4057583

SCHEMBL4057583

Cc1ccc(C2c3cccn3CCCN2C(=O)Nc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
ADRA2C P18825 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LHCGR P22888 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4053387 0.94 TAS1R3 (0.46) SHMT2TAS1R3TAS1R1TAS1R2ADRA2C
SCHEMBL4052272 0.91 TAS1R3 (0.47) SHMT2TAS1R3TAS1R1TAS1R2ADRA2C
SCHEMBL4051629 0.91 ADRA2C (0.48) SHMT2TAS1R3TAS1R1TAS1R2ADRA2C
SCHEMBL13904933 0.88 CCR1 (0.46) SHMT2TAS1R3TAS1R1TAS1R2ADRA2C
SCHEMBL4055918 0.86 EPHX2 (0.43) SHMT2TAS1R3TAS1R1TAS1R2ADRA2C
SCHEMBL4046956 0.84 ADRA2C (0.46) SHMT2TAS1R3TAS1R1TAS1R2ADRA2C
SCHEMBL4049747 0.84 SHMT2 (0.47) SHMT2TAS1R3TAS1R1TAS1R2ADRA2C
SCHEMBL4050143 0.83 MAPT (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL4050745 0.81 MAPT (0.46) SHMT2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4053409 0.79 TAS1R3 (0.44) SHMT2TAS1R3TAS1R1TAS1R2MEN1

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 884/4885TAS1R3 3386/4885TAS1R1 3390/4885

“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.