SCHEMBL2020083

SCHEMBL2020083

FCCN1CCN2c3cccc(F)c3OCC[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.40
AVPR1A P37288 1/20 0.39
SOS1 Q07889 4/20 0.38
DRD2 P14416 4/20 0.36
HTR1A P08908 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRA2A P08913 1/20 0.34

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
SCHEMBL2014411 0.90 SOS1 (0.39) DRD3AVPR1ASOS1DRD2HTR1A
SCHEMBL2015384 0.83 SOS1 (0.42) DRD3AVPR1ASOS1DRD2HTR1A
SCHEMBL2017960 0.82 ADRA1B (0.45) DRD3SOS1HTR1ACYP2C8CYP2D6
SCHEMBL2019939 0.82 ADRA1B (0.45) DRD3SOS1HTR1ACYP2C8CYP2D6
SCHEMBL2015836 0.74 HTR2C (0.52)
SCHEMBL2019235 0.74 HTR2C (0.52)
SCHEMBL2016301 0.74 DRD2 (0.47) DRD2HTR1ACYP2D6
SCHEMBL2015572 0.73 DRD2 (0.41) DRD3SOS1DRD2HTR1ACYP2D6
SCHEMBL2014035 0.72 DRD2 (0.47) DRD3DRD2HTR1ACYP2D6
SCHEMBL2020598 0.71 DRD2 (0.47) DRD2HTR1ACYP2D6

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 DRD3 91/4885AVPR1A 345/4885SOS1 2286/4885

“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.