SCHEMBL4154924

SCHEMBL4154924

CC(C)(C)c1ccc(C2c3cccn3CCCN2c2nc3ccccc3o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
THRB P10828 1/20 0.40
TRPV1 Q8NER1 2/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
CNR2 P34972 5/20 0.35
TP53 P04637 1/20 0.34
NPBWR1 P48145 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL4053140 0.78 MAPT (0.38) SMN1; SMN2HTTMAPTTP53
SCHEMBL4048036 0.69 MAPT (0.43) SMN1; SMN2HTTMAPT
SCHEMBL9030809 0.66 CHRNA7 (0.58) LMNASMN1; SMN2HTTCHRNA7HTR3A
SCHEMBL5021502 0.65 CHRNA7 (0.57) LMNASMN1; SMN2HTTCHRNA7HTR3A
SCHEMBL4151279 0.65 LMNA (0.45) LMNASMN1; SMN2HTTCHRNA7HTR3A
SCHEMBL3949058 0.64 ADRA2C (0.67) LMNASMN1; SMN2HTTHTR3ATSHR
SCHEMBL4049999 0.64 L3MBTL1 (0.38) SMN1; SMN2HTTTSHRMAPTCNR2
SCHEMBL9030802 0.64 CHRNA7 (0.58) LMNASMN1; SMN2HTTCHRNA7HTR3A
SCHEMBL30903262 0.63 ELANE (0.57) LMNASMN1; SMN2HTTCHRNA7HTR3A
SCHEMBL2624458 0.62 SORD (0.58) LMNASMN1; SMN2HTTCHRNA7HTR3A

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 4 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
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 LMNA 3061/4885SMN1; SMN2 1009/4885HTT 3022/4885

“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.