SCHEMBL1809487

SCHEMBL1809487

COc1ccc2c(c1)OCC[C@@H]1CN(C(=O)O)C[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 2/20 0.41
RIPK1 Q13546 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 1/20 0.36
GRIN2B Q13224 1/20 0.36
LMNA P02545 2/20 0.36
EDNRA P25101 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 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
SCHEMBL1809486 1.00 DRD2 (0.48) DRD2DRD3HTR1ARIPK1MAPT
SCHEMBL1809482 1.00 DRD2 (0.48) DRD2DRD3HTR1ARIPK1MAPT
SCHEMBL2598864 0.84 HSD17B2 (0.38) RIPK1MAPTGRIN2BKDM4C
SCHEMBL1805656 0.84 HSD17B2 (0.38) RIPK1MAPTGRIN2BKDM4C
SCHEMBL1805655 0.84 HSD17B2 (0.38) RIPK1MAPTGRIN2BKDM4C
SCHEMBL1805654 0.84 HSD17B2 (0.38) RIPK1MAPTGRIN2BKDM4C
SCHEMBL1803184 0.81 SIGMAR1 (0.39) DRD2DRD3GRIN2BCHRNB2CHRNB4
SCHEMBL860735 0.79 DRD2 (0.43) DRD2DRD3LMNATSHR
SCHEMBL860736 0.79 DRD2 (0.43) DRD2DRD3LMNATSHR
SCHEMBL860734 0.79 DRD2 (0.43) DRD2DRD3LMNATSHR

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 DRD2 50/4885DRD3 74/4885HTR1A 7/4885

“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.