SCHEMBL4150431

SCHEMBL4150431

O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCn2cccc2[C@@H]1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNJ6 P48051 3/20 0.41
KCNJ5 P48544 3/20 0.41
KCNJ3 P48549 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL13905013 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EGLATDP1KCNJ6
SCHEMBL4152339 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EGLATDP1KCNJ6
SCHEMBL4150432 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EGLATDP1KCNJ6
SCHEMBL3953034 0.94 MAPT (0.42) ALDH1A1KDM4EGLATDP1KCNJ6
SCHEMBL3950790 0.89 TRPV1 (0.39) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL4155705 0.86 RAB9A (0.51) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4155703 0.86 RAB9A (0.51) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4150425 0.86 RAB9A (0.51) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13904891 0.86 RAB9A (0.51) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13914799 0.85 DEGS1 (0.51) ALDH1A1KDM4ERAB9AMAPTSMN1; 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 ALDH1A1 4812/4885KDM4E 2542/4885GLA 3307/4885

“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.