SCHEMBL11947490

SCHEMBL11947490

CC[C@@]1(c2cccc(O)c2)CCCCNC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.59
ACHE P22303 3/20 0.59
CYP2D6 P10635 2/20 0.59
SLC22A1 O15245 1/20 0.59
CHRM2 P08172 1/20 0.59
OPRM1 P35372 1/20 0.59
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
TACR1 P25103 2/20 0.42

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
SCHEMBL7674020 1.00 SLC6A4 (0.59) SLC6A4ACHECYP2D6SLC22A1CHRM2
SCHEMBL20698854 0.84 SLC6A4 (0.44) SLC6A4ACHECYP2D6SLC22A1CHRM2
SCHEMBL19123555 0.82 SLC6A4 (0.50) SLC6A4CYP2D6CHRM2OPRM1SLC6A2
SCHEMBL17119222 0.81 FNTA (0.49) SLC6A4CYP2D6SLC22A1CHRM2OPRM1
SCHEMBL7680548 0.81 FNTA (0.49) SLC6A4CYP2D6SLC22A1CHRM2OPRM1
SCHEMBL23333048 0.81 ACHE (0.55) SLC6A4ACHECYP2D6SLC22A1CHRM2
SCHEMBL13078444 0.80 FNTA (0.49) SLC6A4ACHECYP2D6SLC22A1CHRM2
SCHEMBL11226331 0.77 SLC6A4 (0.49) SLC6A4CYP2D6OPRM1SLC6A2SLC6A3
SCHEMBL13485648 0.75 OPRM1 (0.41) SLC6A4ACHECYP2D6SLC22A1CHRM2
SCHEMBL19146081 0.74 ACHE (0.76) SLC6A4ACHECYP2D6SLC22A1CHRM2

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-8232270-B2 Bivalent (−)-meptazinol compounds and/or their salts, and their preparation and futilization FUDAN UNIVERSITY (CN) 2012-07-31 US disclosed
US-8232270-B2 Bivalent (−)-meptazinol compounds and/or their salts, and their preparation and futilization FUDAN UNIVERSITY (CN) 2012-07-31 US disclosed
US-20100035861-A1 Meptazinol Biligand Derivatives and/or their Salts, Preparation Method and Uses Thereof FUDAN UNIVERSITY (CN) 2010-02-11 US disclosed
EP-2048134-A1 MEPTAZINOL BILIGAND DERIVATIVES AND/OR THEIR SALTS, PREPARATION METHOD AND USES THEREOF Fudan University (CN) 2009-04-15 EP 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-20100035861-A1 Meptazinol Biligand Derivatives and/or their Salts, Preparation Method and Uses Thereof BCHE, ACHE, APEH SLC6A4 1477/4885ACHE 2/4885CYP2D6 348/4885

“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.