SCHEMBL2015341

SCHEMBL2015341

FCC(CF)N1CCN2c3ccccc3OCC[C@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 8/20 0.36
AGTR2 P50052 1/20 0.36
ADRA1B P35368 2/20 0.33
HTR1A P08908 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
TSHR P16473 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDK1 Q15118 1/20 0.32
SCN9A Q15858 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2016209 0.83 SOS1 (0.46) SOS1AGTR2TSHRNOTUMTP53
SCHEMBL2017960 0.80 ADRA1B (0.45) SOS1ADRA1BHTR1AADRA1DADRA1A
SCHEMBL2019939 0.80 ADRA1B (0.45) SOS1ADRA1BHTR1AADRA1DADRA1A
SCHEMBL696852 0.76 SOS1 (0.41) SOS1AGTR2HTR1AADRA1DADRA1A
SCHEMBL2016220 0.76 SOS1 (0.41) SOS1AGTR2HTR1AADRA1DADRA1A
SCHEMBL2014414 0.75 DRD2 (0.44) AGTR2ADRA1BHTR1AADRA1DADRA1A
SCHEMBL13120462 0.73 HTR1A (0.51) ADRA1BHTR1AADRA1DADRA1ATSHR
SCHEMBL693013 0.73 HTR1A (0.51) ADRA1BHTR1AADRA1DADRA1ATSHR
SCHEMBL1555160 0.70 NOTUM (0.47) AGTR2HTR1ATSHRNOTUMPDK1
SCHEMBL2018190 0.68 HTR2C (0.58)

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 SOS1 2286/4885AGTR2 542/4885ADRA1B 57/4885

“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.