SCHEMBL5103707

SCHEMBL5103707

c1cncc(-c2ccc3c(c2)Oc2ccccc2C3C2CCN(Cc3ccoc3)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ WNT1 P04628 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ SMO Q99835 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL5090842 0.90 MCHR1 (0.37) MCHR1KDM4ECCR5HTR2AHTR2C
SCHEMBL5091881 0.90 ACHE (0.46) ACHEGSK3BWNT1DYRK1ABACE1
SCHEMBL4515040 0.86 CYP2D6 (0.34) TNIKCYP11B1CYP11B2
SCHEMBL5094857 0.83 PARP1 (0.39) ACHEGSK3BWNT1DYRK1ASMO
SCHEMBL5091017 0.83 ABCB1 (0.43) ACHEGSK3BWNT1DYRK1ABACE1
SCHEMBL5091955 0.83 DRD2 (0.49) ACHEGSK3BCYP11B1CYP11B2HTR2A
SCHEMBL14012185 0.81 ACHE (0.34) ACHEGSK3BWNT1DYRK1ASMO
SCHEMBL5091888 0.81 KDM4E (0.36) MCHR1KDM4EHTR2AHTR2CHTR2B
SCHEMBL5116581 0.80 CYP11B1 (0.39) ACHEGSK3BWNT1DYRK1ASMO
SCHEMBL5094777 0.80 ACHE (0.44) ACHEGSK3BWNT1DYRK1ASMO

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 12 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 claimed
CN-101128458-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 — — CN claimed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 — — EP claimed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO claimed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 — — US claimed
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
CN-101128458-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 — — CN 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 ACHE 303/4885GSK3B 594/4885MCHR1 256/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ACHE 303/4885GSK3B 594/4885MCHR1 256/4885

“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.

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