SCHEMBL4512893

SCHEMBL4512893

CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1c(O)cccc1C2C1CC2CCC(C1)N2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.34
PARP1 P09874 1/20 0.34
PARP14 Q460N5 5/20 0.33
METAP2 P50579 1/20 0.33
FFAR2 O15552 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 2/20 0.32
APOBEC3A P31941 1/20 0.32
GFER P55789 1/20 0.32
HDAC1 Q13547 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
OTUD7B Q6GQQ9 2/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL4518086 0.90 DHODH (0.38) DHODHPARP1PARP14METAP2FFAR2
SCHEMBL4522720 0.89 MAPT (0.35) DHODHMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5193952 0.88 DHODH (0.35) DHODHPARP1PARP14METAP2FFAR2
SCHEMBL5097024 0.88 CHRM1 (0.39) DHODHPARP1PARP14METAP2FFAR2
SCHEMBL4508984 0.83 SMN1; SMN2 (0.39) FFAR2SMN1; SMN2
SCHEMBL5194715 0.80 NR3C1 (0.35) DHODHPARP1METAP2MAPTKDM4E
SCHEMBL4519581 0.80 CYP2D6 (0.43) POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL4509720 0.80 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL4502744 0.80 OPRM1 (0.37)
SCHEMBL4504326 0.80 PARP1 (0.33) PARP1METAP2TRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US claimed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP claimed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO claimed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 US claimed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 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 (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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 DHODH 1521/4885PARP1 4298/4885PARP14 4048/4885

“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.