SCHEMBL2017755

SCHEMBL2017755

Clc1cc2c(cc1Cl)N1CCN(Cc3ccccc3)C[C@@H]1CCO2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
CYP2D6 P10635 2/20 0.45
DRD2 P14416 3/20 0.43
HTR1A P08908 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM3 P20309 3/20 0.40
CHRM2 P08172 2/20 0.40
DRD4 P21917 2/20 0.39
DRD3 P35462 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NOTUM Q6P988 1/20 0.38

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 0.87 CYP2D6 (0.44) SIGMAR1CYP2D6DRD2HTR1AADRA1D
SCHEMBL2014482 0.87 CYP2D6 (0.44) SIGMAR1CYP2D6DRD2HTR1AADRA1D
SCHEMBL2012961 0.87 CYP2D6 (0.47) SIGMAR1CYP2D6DRD2HTR1AADRA1D
SCHEMBL693013 0.85 HTR1A (0.51) SIGMAR1CYP2D6DRD2HTR1AADRA1D
SCHEMBL13120462 0.85 HTR1A (0.51) SIGMAR1CYP2D6DRD2HTR1AADRA1D
SCHEMBL3629649 0.84 MAPT (0.47) CYP2D6DRD2HTR1AADRA1DADRA1A
SCHEMBL12572987 0.84 CYP2D6 (0.43) CYP2D6DRD2HTR1AADRA1DADRA1A
SCHEMBL2017764 0.84 LMNA (0.44) CYP2D6DRD2HTR1AADRA1DADRA1A
SCHEMBL2020317 0.81 DRD2 (0.49) SIGMAR1DRD2HTR1ADRD4DRD3
SCHEMBL2014035 0.81 DRD2 (0.47) SIGMAR1CYP2D6DRD2HTR1AADRA1D

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 SIGMAR1 77/4885CYP2D6 358/4885DRD2 73/4885

“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.