SCHEMBL8434812

SCHEMBL8434812

COc1cccc(C2(O)CCCCC2(C)N(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 12/20 0.52
▸ SLC6A4 P31645 11/20 0.52
▸ OPRM1 P35372 7/20 0.52
▸ SLC22A1 O15245 3/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ OPRK1 P41145 2/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SLC6A3 Q01959 2/20 0.46
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ CHRND Q07001 1/20 0.46
▸ KDM1A O60341 1/20 0.46

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
SCHEMBL5516837 1.00 SLC6A2 (0.52) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL11225506 0.84 OPRM1 (0.47) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
Hydrochloric Acid SCHEMBL8616472 0.82 SLC6A4 (0.48) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL11320663 0.82 SLC6A4 (0.48) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL11313951 0.81 SLC6A4 (0.47) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL2515981 0.81 OPRM1 (0.49) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5242124 0.81 TDP1 (0.46) MEN1KMT2A
Hydrochloric Acid SCHEMBL2518903 0.79 OPRM1 (0.48) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
Hydrochloric Acid SCHEMBL2518902 0.79 OPRM1 (0.48) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
Hydrochloric Acid SCHEMBL11307266 0.78 KDM1A (0.47) SLC6A2SLC6A4OPRM1SLC22A1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039742-A1 EXTRACTION OF TRAMADOL FROM NAUCLEA LATIFOLIA SMITH UNIVERSITE JOSEPH FOURIER - GRENOBLE 1 (FR) 2016-02-11 — — US disclosed
US-5877351-A REACTION WITH HYDROGEN BROMIDE WYCKOFF CHEMICAL COMPANY, INC. (US) 1999-03-02 — — 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-20160039742-A1 EXTRACTION OF TRAMADOL FROM NAUCLEA LATIFOLIA SMITH OPRK1, OPRD1, OPRM1 SLC6A2 15/4885SLC6A4 405/4885OPRM1 3/4885

“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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