SCHEMBL3175166

SCHEMBL3175166

CN1C2CCC1CC(N1c3ccccc3Oc3cc(C(=O)O)ccc31)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
P2RX4 Q99571 3/20 0.39
CHRM3 P20309 4/20 0.39
ALOX5 P09917 1/20 0.38
CHRM2 P08172 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRM4 P08173 2/20 0.38
HTR2C P28335 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 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
SCHEMBL3173074 1.00 HTR3E (0.41) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3173450 0.88 TRPA1 (0.43) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3182429 0.85 OPRM1 (0.48) P2RX4
SCHEMBL5198656 0.85 KDM4E (0.40) HTR3ACHRM3CHRM2CHRM1KMT2A
SCHEMBL5120140 0.85 P2RX4 (0.49) P2RX4ALOX5MEN1KMT2AKDM4E
SCHEMBL3175135 0.83 CYP2D6 (0.41) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3189831 0.83 F10 (0.36) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL13394798 0.83 F10 (0.36) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3189813 0.83 CHRNB4 (0.35) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3184444 0.82 RAB9A (0.42) KMT2A

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-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090042871-A1 Tricyclic Delta-Opioid Modulators COATS STEVEN J 2009-02-12 US disclosed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US disclosed
US-20060135763-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 (3 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-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HTR3E 523/4885HTR3B 284/4885CHRNA7 79/4885
US-20060135763-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 HTR3E 589/4885HTR3B 317/4885CHRNA7 78/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 HTR3E 589/4885HTR3B 317/4885CHRNA7 78/4885

“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.