SCHEMBL4517685

SCHEMBL4517685

C=CCN1C2CCC1CC(C1c3ccccc3Oc3cc(-c4ccccc4NC(C)=O)ccc31)C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PARP1 P09874 1/20 0.33
DHODH Q02127 1/20 0.33
OTUD7B Q6GQQ9 2/20 0.33
METAP2 P50579 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
HTT P42858 1/20 0.32
FFAR2 O15552 1/20 0.32
CHRM3 P20309 4/20 0.32
ALPL P05186 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL4510213 0.88 SMN1; SMN2 (0.41) MEN1KMT2AOPRM1OPRD1FFAR2
SCHEMBL5094817 0.87 MEN1 (0.37) ALDH1A1MEN1KMT2APARP1DHODH
SCHEMBL4526870 0.87 ALPL (0.47) HRH3OPRM1OPRD1CHRM3ALPL
SCHEMBL4520048 0.85 PKM (0.46) ALDH1A1MEN1KMT2A
SCHEMBL4509389 0.85 CYP2D6 (0.46) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL4520693 0.85 OPRM1 (0.40) HRH3OPRM1OPRD1
SCHEMBL4505572 0.85 SMN1; SMN2 (0.35)
SCHEMBL4518086 0.81 DHODH (0.38) ALDH1A1MEN1KMT2APARP1DHODH
SCHEMBL5194701 0.80 SMN1; SMN2 (0.39) MEN1KMT2AOPRM1OPRD1ALPL
SCHEMBL4508984 0.80 SMN1; SMN2 (0.39) MEN1KMT2AOPRM1OPRD1FFAR2

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 ALDH1A1 1302/4885MEN1 4869/4885KMT2A 2064/4885

“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.