SCHEMBL2016301

SCHEMBL2016301

Cc1cccc2c1OCC[C@H]1CN(Cc3ccccc3)CCN21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
SCN4A P35499 2/20 0.42
HTR1A P08908 5/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD4 P21917 2/20 0.40
CHRM3 P20309 3/20 0.39
CHRM2 P08172 2/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
BCHE P06276 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
SCHEMBL2014035 0.87 DRD2 (0.47) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL2020598 0.86 DRD2 (0.47) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL2014411 0.84 SOS1 (0.39) DRD2HTR1ACYP2D6
SCHEMBL13120462 0.82 HTR1A (0.51) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL693013 0.82 HTR1A (0.51) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL2015572 0.79 DRD2 (0.41) DRD2HTR1AADRA1DADRA1ADRD4
SCHEMBL2017764 0.79 LMNA (0.44) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL3629649 0.79 MAPT (0.47) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL2017755 0.76 SIGMAR1 (0.46) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL2014482 0.75 CYP2D6 (0.44) DRD2HTR1AADRA1DADRA1AADRA1B

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 73/4885SCN4A 368/4885HTR1A 2/4885

“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.