SCHEMBL26324763

SCHEMBL26324763

COc1ccc2oc3c(c2c1)CCN1CC(CC3C)CC(c2ccccc2)C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ DRD4 P21917 3/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ MAOA P21397 3/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL17793573 0.87 SLC6A4 (0.46) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL26326160 0.84 SIGMAR1 (0.41) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL31291663 0.80 SLC6A4 (0.48) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793492 0.77 SLC6A4 (0.51) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL19630854 0.76 SLC6A4 (0.42) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL19630693 0.75 SLC6A4 (0.65) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793539 0.74 SLC6A4 (0.54) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793540 0.74 SLC6A4 (0.55) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL19627120 0.73 SLC6A4 (0.37) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793570 0.73 SLC6A4 (0.54) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 — — 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-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 SLC6A4 305/4885SIGMAR1 14/4885CHRNB2 63/4885

“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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