SCHEMBL5091008

SCHEMBL5091008

COc1cccc2c1Oc1cc(-c3nnn[nH]3)ccc1C2C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ CACNB4 O00305 1/20 0.38
▸ CACNA1A O00555 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNG3 O60359 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNB3 P54284 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38
▸ CACNG7 P62955 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ CACNB1 Q02641 1/20 0.38
▸ CACNG1 Q06432 1/20 0.38
▸ CACNB2 Q08289 1/20 0.38
▸ CACNA1S Q13698 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ CACNA1E Q15878 1/20 0.38
▸ CACNA2D4 Q7Z3S7 1/20 0.38
▸ CACNA2D3 Q8IZS8 1/20 0.38

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
SCHEMBL5096953 0.82 GPR119 (0.43) GPR119TGFBR1ALDH1A1ALOX12TP53
SCHEMBL5097362 0.80 GPR119 (0.44) GPR119TGFBR1ALDH1A1
SCHEMBL5097027 0.77 PDE4A (0.42) GPR119MEN1KMT2ATGFBR1ALOX12
SCHEMBL5103257 0.76 RBP4 (0.35) —
SCHEMBL5120216 0.73 USP30 (0.41) HTTCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL14635700 0.73 HTT (0.47) HTTGPR119MEN1KMT2AALOX12
SCHEMBL5090892 0.72 MAPT (0.37) HTTCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL5094844 0.70 — —
SCHEMBL4533479 0.69 PTPN2 (0.43) HTTGPR119PTPN2PTPN1PTPN6
SCHEMBL6530981 0.69 CHEK2 (0.58) HTTGPR119ALDH1A1PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 — — EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 — — 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 (2 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-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 HTT 1494/4885CACNB4 516/4885CACNA1A 281/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HTT 1494/4885CACNB4 516/4885CACNA1A 281/4885

“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.

Send feedback