SCHEMBL2014035

SCHEMBL2014035

Clc1cccc2c1OCC[C@H]1CN(Cc3ccccc3)CCN21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
DRD4 P21917 2/20 0.45
DRD3 P35462 1/20 0.45
HTR1A P08908 3/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
CHRM3 P20309 3/20 0.40
CHRM2 P08172 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.38
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
SCHEMBL2016301 0.87 DRD2 (0.47) DRD2DRD4HTR1AADRA1DADRA1A
SCHEMBL2020598 0.87 DRD2 (0.47) DRD2DRD4HTR1AADRA1DADRA1A
SCHEMBL13120462 0.83 HTR1A (0.51) DRD2DRD4HTR1AADRA1DADRA1A
SCHEMBL693013 0.83 HTR1A (0.51) DRD2DRD4HTR1AADRA1DADRA1A
SCHEMBL2017755 0.81 SIGMAR1 (0.46) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL3618834 0.81 CYP2D6 (0.42) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL2012961 0.78 CYP2D6 (0.47) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL2014482 0.78 CYP2D6 (0.44) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL692590 0.78 CYP2D6 (0.44) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL18222113 0.78 NOTUM (0.47) ADRA1ASIGMAR1NOTUM

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 DRD2 73/4885DRD4 93/4885DRD3 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.