SCHEMBL2017678

SCHEMBL2017678

CN1CCN2c3cc(Cl)ccc3OCC[C@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.41
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM2 P08172 1/20 0.39
GABRA1 P14867 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 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
SCHEMBL2566784 1.00 SOS1 (0.41) SOS1DRD2DRD4HTR1AADRA2A
SCHEMBL2018737 0.90 SOS1 (0.41) SOS1DRD2DRD4HTR1AADRA2A
SCHEMBL696852 0.81 SOS1 (0.41) SOS1DRD2DRD4HTR1AADRA2A
SCHEMBL2016220 0.81 SOS1 (0.41) SOS1DRD2DRD4HTR1AADRA2A
SCHEMBL2012961 0.78 CYP2D6 (0.47) DRD2DRD4HTR1AADRA1DADRA1A
SCHEMBL2017778 0.76 HTR2C (0.58) HTR2AHTR2CHTR2B
SCHEMBL692644 0.76 HTR2C (0.58) HTR2AHTR2CHTR2B
SCHEMBL2563225 0.76 HTR2C (0.58) HTR2AHTR2CHTR2B
SCHEMBL2017872 0.74 DRD2 (0.41) SOS1DRD2DRD4DRD1HTR2C
SCHEMBL2015975 0.74 GRIA2 (0.42) SOS1DRD2DRD3KCNH2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP claimed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US claimed
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 SOS1 2286/4885DRD2 73/4885DRD4 93/4885

“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.