SCHEMBL3074717

SCHEMBL3074717

FC(F)(F)c1nc(N2CCCNCC2)sc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN4A P35499 1/20 0.39
SCN9A Q15858 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRNB2 P17787 5/20 0.38
CHRNA4 P43681 5/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA7 P36544 1/20 0.38
HRH1 P35367 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL2828143 0.76 ADRB1 (0.44) CTSBCTSSCTSKKCNH2SCN4A
SCHEMBL10219273 0.69 SCN4A (0.62) CNR2SCN4ASCN9AADRB2SMN1; SMN2
SCHEMBL10219375 0.68 SCN4A (0.52) CNR2SCN4ASCN9AKDM4ESMN1; SMN2
SCHEMBL1689387 0.66 NPC1 (0.75) CNR2SCN4ASCN9ASMN1; SMN2ALDH1A1
SCHEMBL2548960 0.66 CNR2 (0.46) CNR2CTSBCTSSCTSKKCNH2
Hydrochloric Acid SCHEMBL2825375 0.66 SCN4A (0.41) KCNH2SCN4ASCN9AADRB2CHRNB2
SCHEMBL3062926 0.65 MAPT (0.58) SMN1; SMN2ALDH1A1HPGDMAPTHSD17B10
Hydrochloric Acid SCHEMBL4307773 0.65 NPC1 (0.73) CNR2SCN4ASCN9ASMN1; SMN2ALDH1A1
SCHEMBL2828246 0.65 MLYCD (0.47) ADRB1
SCHEMBL12086442 0.65 CNR2 (0.39) CNR2CTSBCTSSCTSKKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 CNR2 2/4885CTSB 1512/4885CTSS 2272/4885

“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.