SCHEMBL19630691

SCHEMBL19630691

CCC1CC2CC3c4oc5ccc(OC)cc5c4CCN(C2)C13C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ TRPA1 O75762 2/20 0.34
▸ KDR P35968 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SENP8 Q96LD8 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
SCHEMBL19627136 0.87 KDM4E (0.31) KDM4ETSHR
SCHEMBL26326524 0.81 DRD2 (0.32) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL19630693 0.73 SLC6A4 (0.65) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793540 0.70 SLC6A4 (0.55) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL31291663 0.70 SLC6A4 (0.48) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793570 0.69 SLC6A4 (0.54) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793539 0.69 SLC6A4 (0.54) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL19630854 0.68 SLC6A4 (0.42) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL26930631 0.68 SLC6A4 (0.39) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL19627139 0.67 KDM4E (0.31) KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 — — US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 — — US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 — — 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-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 SLC6A4 323/4885SIGMAR1 14/4885CHRNB2 84/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 SLC6A4 305/4885SIGMAR1 14/4885CHRNB2 63/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 SLC6A4 323/4885SIGMAR1 14/4885CHRNB2 84/4885

“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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