SCHEMBL6851749

SCHEMBL6851749

COc1cccc(C2(O)CCCCC2C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.60
SLC6A2 P23975 10/20 0.60
OPRM1 P35372 5/20 0.60
SLC22A1 O15245 3/20 0.60
KMT2A Q03164 2/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
OPRD1 P41143 1/20 0.60
OPRK1 P41145 1/20 0.60
MEN1 O00255 1/20 0.60
SLC6A3 Q01959 1/20 0.48
SLC6A9 P48067 2/20 0.45
OPRL1 P41146 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6851754 1.00 SLC6A4 (0.60) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL6851765 1.00 SLC6A4 (0.60) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL6851762 1.00 SLC6A4 (0.60) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL7079682 0.82 SLC6A4 (0.60) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL7066371 0.82 SLC6A4 (0.60) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL7079678 0.82 SLC6A4 (0.60) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL16115468 0.81 SLC6A4 (0.65) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL13941680 0.81 SLC6A4 (0.65) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
Hydrochloric Acid SCHEMBL8611905 0.80 SLC6A4 (0.64) SLC6A4SLC6A2OPRM1SLC22A1KMT2A
SCHEMBL14538756 0.78 SLC6A4 (0.76) SLC6A4SLC6A2OPRM1SLC22A1KMT2A

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-6780891-B2 MODULATE OPIATE RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS SEPRACOR INC. 2004-08-24 US disclosed
US-20030171440-A1 Tramadol analogs and uses thereof SEPRACOR INC. 2003-09-11 US disclosed
WO-2003048113-A1 TRAMADOL ANALOGS AND USES THEREOF SEPRACOR INC. (US) 2003-06-12 WO 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-20030171440-A1 Tramadol analogs and uses thereof OPRD1, OPRK1, OPRM1 SLC6A4 56/4885SLC6A2 81/4885OPRM1 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.