SCHEMBL1804592

SCHEMBL1804592

CN1C[C@@H]2CCN(C)c3ccccc3[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
HRH1 P35367 4/20 0.46
HTR6 P50406 4/20 0.46
MEN1 O00255 3/20 0.46
CYP3A4 P08684 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 4/20 0.40
HTR2A P28223 4/20 0.36
HTR1A P08908 3/20 0.36
ADRA2A P08913 3/20 0.36
DRD2 P14416 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 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
SCHEMBL1804594 1.00 SIGMAR1 (0.48) SIGMAR1HRH1HTR6MEN1CYP3A4
SCHEMBL1804593 1.00 SIGMAR1 (0.48) SIGMAR1HRH1HTR6MEN1CYP3A4
SCHEMBL1805149 0.80 HTR2A (0.40) SIGMAR1HRH1HTR6MEN1CYP3A4
SCHEMBL1805150 0.80 HTR2A (0.40) SIGMAR1HRH1HTR6MEN1CYP3A4
SCHEMBL1805148 0.80 HTR2A (0.40) SIGMAR1HRH1HTR6MEN1CYP3A4
SCHEMBL1804195 0.79 CHRM2 (0.44) SIGMAR1HRH1HTR6MEN1CYP3A4
SCHEMBL1804196 0.79 CHRM2 (0.44) SIGMAR1HRH1HTR6MEN1CYP3A4
SCHEMBL2597950 0.79 CHRM2 (0.44) SIGMAR1HRH1HTR6MEN1CYP3A4
SCHEMBL1804194 0.79 CHRM2 (0.44) SIGMAR1HRH1HTR6MEN1CYP3A4
SCHEMBL2256940 0.78 SIGMAR1 (0.39) SIGMAR1HRH1HTR6MAPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C SIGMAR1 93/4885HRH1 79/4885HTR6 19/4885

“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.