SCHEMBL1803872

SCHEMBL1803872

COc1cc(C)ccc1-c1ccc2c(c1)C(=O)NC[C@H]1CN(C)C[C@H]21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GLS O94925 1/20 0.34
GLS2 Q9UI32 1/20 0.34
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
FYN P06241 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4D Q08499 1/20 0.32
KDR P35968 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
SCHEMBL1803880 1.00 ALDH1A1 (0.35) ALDH1A1GLSGLS2HTTNCOA1
SCHEMBL1803874 1.00 ALDH1A1 (0.35) ALDH1A1GLSGLS2HTTNCOA1
SCHEMBL1804281 0.90 CYP1A1 (0.43) ALDH1A1
SCHEMBL1804282 0.90 CYP1A1 (0.43) ALDH1A1
SCHEMBL1804284 0.90 CYP1A1 (0.43) ALDH1A1
SCHEMBL1806085 0.89 CCNT1 (0.39) HTTNCOA1NCOA3
SCHEMBL1803659 0.89 CCNT1 (0.39) HTTNCOA1NCOA3
SCHEMBL1806088 0.89 CCNT1 (0.39) HTTNCOA1NCOA3
SCHEMBL1804859 0.87 PTPRC (0.44) ALDH1A1PTPRCPTPN1L3MBTL1KMT2A
SCHEMBL2598944 0.87 PTPRC (0.44) ALDH1A1PTPRCPTPN1L3MBTL1KMT2A

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 ALDH1A1 971/4885GLS 1636/4885GLS2 1289/4885

“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.