SCHEMBL13914799

SCHEMBL13914799

O=C(Nc1ccc(O)cc1)[C@H]1CCCn2cccc2[C@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.51
ME3 Q16798 1/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
GRIN2B Q13224 2/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 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
SCHEMBL13914797 1.00 DEGS1 (0.51) DEGS1ME3RAB9ALMNAMAPT
SCHEMBL4155703 0.90 RAB9A (0.51) RAB9ALMNAMAPTGAAALDH1A1
SCHEMBL4150425 0.90 RAB9A (0.51) RAB9ALMNAMAPTGAAALDH1A1
SCHEMBL13904891 0.90 RAB9A (0.51) RAB9ALMNAMAPTGAAALDH1A1
SCHEMBL4155705 0.90 RAB9A (0.51) RAB9ALMNAMAPTGAAALDH1A1
SCHEMBL13905001 0.88 BRD4 (0.48) RAB9ALMNAMAPTGAAHTT
SCHEMBL4150628 0.88 BRD4 (0.48) RAB9ALMNAMAPTGAAHTT
SCHEMBL13904944 0.88 BRD4 (0.48) RAB9ALMNAMAPTGAAHTT
SCHEMBL13904786 0.86 LIPE (0.49) LMNAMAPTGAAFNTAFNTB
SCHEMBL4143521 0.86 LIPE (0.49) LMNAMAPTGAAFNTAFNTB

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-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 DEGS1 562/4885ME3 2804/4885RAB9A 719/4885

“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.