SCHEMBL1805477

SCHEMBL1805477

COc1cccc2c1OCC[C@H]1CN(C(=O)O)C[C@H]21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TERT O14746 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRA1B P35368 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 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
SCHEMBL1805478 1.00 HTR1A (0.41) HTR1AKMT2AMEN1SMN1; SMN2TERT
SCHEMBL1805481 1.00 HTR1A (0.41) HTR1AKMT2AMEN1SMN1; SMN2TERT
SCHEMBL1806459 0.84 ADRA2A (0.39) HTR1AHCRTR1HCRTR2
SCHEMBL1804015 0.84 ADRA2A (0.39) HTR1AHCRTR1HCRTR2
SCHEMBL1806458 0.84 ADRA2A (0.39) HTR1AHCRTR1HCRTR2
SCHEMBL1804018 0.84 ADRA2A (0.39) HTR1AHCRTR1HCRTR2
SCHEMBL2598834 0.84 ADRA2A (0.39) HTR1AHCRTR1HCRTR2
SCHEMBL1804013 0.84 ADRA2A (0.39) HTR1AHCRTR1HCRTR2
SCHEMBL2599017 0.83 ACHE (0.40) KMT2AMEN1ACHE
SCHEMBL1804905 0.83 ACHE (0.40) KMT2AMEN1ACHE

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 3 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 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 HTR1A 7/4885KMT2A 2790/4885MEN1 4095/4885

“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.