SCHEMBL2014482

SCHEMBL2014482

Clc1ccc2c(c1)OCC[C@@H]1CN(Cc3ccccc3)CCN21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.44
DRD2 P14416 4/20 0.43
DRD3 P35462 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
DRD4 P21917 5/20 0.43
HTR1A P08908 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
NOTUM Q6P988 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TSHR P16473 1/20 0.40
CHRM2 P08172 2/20 0.39

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
SCHEMBL692590 1.00 CYP2D6 (0.44) CYP2D6DRD2DRD3SIGMAR1DRD4
SCHEMBL2012961 0.91 CYP2D6 (0.47) CYP2D6DRD2DRD3SIGMAR1DRD4
SCHEMBL12572987 0.88 CYP2D6 (0.43) CYP2D6DRD2DRD4HTR1AADRA1D
SCHEMBL2017764 0.88 LMNA (0.44) CYP2D6DRD2HTR1AADRA1DADRA1A
SCHEMBL2017755 0.87 SIGMAR1 (0.46) CYP2D6DRD2DRD3SIGMAR1DRD4
SCHEMBL13120462 0.87 HTR1A (0.51) CYP2D6DRD2SIGMAR1DRD4HTR1A
SCHEMBL693013 0.87 HTR1A (0.51) CYP2D6DRD2SIGMAR1DRD4HTR1A
SCHEMBL2020317 0.85 DRD2 (0.49) DRD2DRD3SIGMAR1DRD4HTR1A
SCHEMBL12572990 0.83 ALDH1A1 (0.47) CYP2D6CYP1A2CYP3A4CYP2C9BCHE
SCHEMBL3629649 0.81 MAPT (0.47) CYP2D6DRD2HTR1AADRA1DADRA1A

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
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 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-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CYP2D6 358/4885DRD2 73/4885DRD3 91/4885

“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.