SCHEMBL490374

SCHEMBL490374

CCN(C(=O)c1ccc2c(c1)Sc1ccccc1C2)C(C)=C1CC2CCC(C1)N2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.44
OPRD1 P41143 6/20 0.44
TP53 P04637 2/20 0.32
CTSD P07339 1/20 0.32
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL490331 0.70 OPRD1 (0.53) OPRM1OPRD1TP53
SCHEMBL21135535 0.70 MAPT (0.54) OPRM1ATM
SCHEMBL27794501 0.66 SRD5A2 (0.58) ATM
SCHEMBL6530674 0.65 OPRM1 (0.40) OPRM1OPRD1TP53
SCHEMBL490658 0.65 OPRD1 (0.42) OPRM1OPRD1
SCHEMBL7681194 0.65 ALDH1A1 (0.44) BCHEPOLBATM
SCHEMBL23648301 0.64 TRPA1 (0.53) TP53POLBATM
SCHEMBL10848340 0.64 HDAC8 (0.41) BCHEPOLBATM
SCHEMBL28317759 0.63 TP53 (0.53) TP53
Thioxanthene SCHEMBL11865022 0.62 ALDH1A1 (0.53) BCHEATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2011-10-06 US disclosed
US-7982042-B2 delta-opioid receptor agonists as analgesics having reduced side effects and antagonists as immunosuppressants, antiinflammatory agents, neurological, psychiatric , urological and reproductive conditions;N-{2-[10-(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-10H-phenothiazine-3-yl]-phenyl}-acetamide Janseen Pharmacautica NV (BE) 2011-07-19 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-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRD1 1/4885TP53 4774/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRD1 1/4885TP53 4774/4885

“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.