SCHEMBL4158829

SCHEMBL4158829

CC(C)(C)c1ccc(C2c3cccn3CCCC2C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
RIPK1 Q13546 1/20 0.34
HSD11B1 P28845 1/20 0.34
ADRA2C P18825 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.33
FPR1 P21462 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL3955059 0.81 RAB9A (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL4150724 0.78 TRPV1 (0.47) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL3949083 0.78 KDM4E (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3951555 0.75 TRPV1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3953270 0.74 RAB9A (0.44) SLC6A2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3954506 0.74 EPHX2 (0.46) FPR1
SCHEMBL13904944 0.73 BRD4 (0.48) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL13905001 0.73 BRD4 (0.48) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3957210 0.73 FPR1 (0.48) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL3953790 0.72 TRPV1 (0.41) MEN1KMT2AMAPTTP53SMN1; SMN2

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 SLC6A2 2541/4885MEN1 799/4885KMT2A 2878/4885

“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.