SCHEMBL2017960

SCHEMBL2017960

FCCN1CCN2c3ccccc3OCC[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 2/20 0.45
DRD3 P35462 3/20 0.42
HTR1A P08908 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
SOS1 Q07889 2/20 0.39
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL2019939 1.00 ADRA1B (0.45) ADRA1BDRD3HTR1AADRA1DADRA1A
SCHEMBL2014414 0.85 DRD2 (0.44) ADRA1BDRD3HTR1AADRA1DADRA1A
SCHEMBL693013 0.83 HTR1A (0.51) ADRA1BHTR1AADRA1DADRA1ACYP2D6
SCHEMBL13120462 0.83 HTR1A (0.51) ADRA1BHTR1AADRA1DADRA1ACYP2D6
SCHEMBL2020083 0.82 DRD3 (0.40) DRD3HTR1ASOS1CYP2C8CYP2D6
SCHEMBL2016220 0.81 SOS1 (0.41) DRD3HTR1AADRA1DADRA1ASOS1
SCHEMBL696852 0.81 SOS1 (0.41) DRD3HTR1AADRA1DADRA1ASOS1
SCHEMBL2014411 0.80 SOS1 (0.39) DRD3HTR1ASOS1CYP2C8CYP2D6
SCHEMBL2015341 0.80 SOS1 (0.36) ADRA1BHTR1AADRA1DADRA1ASOS1
SCHEMBL2016209 0.75 SOS1 (0.46) SOS1

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 9 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 claimed
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
EP-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP disclosed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO 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 ADRA1B 57/4885DRD3 91/4885HTR1A 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.