SCHEMBL2017764

SCHEMBL2017764

Cc1ccc2c(c1)OCC[C@H]1CN(Cc3ccccc3)CCN21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.43
BCHE P06276 4/20 0.42
HTR1A P08908 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
DRD2 P14416 1/20 0.41
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR2 P34972 1/20 0.39
CHRM2 P08172 2/20 0.39

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
SCHEMBL3629649 0.91 MAPT (0.47) LMNAPOLBCYP2D6BCHEHTR1A
SCHEMBL2014482 0.88 CYP2D6 (0.44) CYP2D6BCHEHTR1AADRA1DADRA1A
SCHEMBL692590 0.88 CYP2D6 (0.44) CYP2D6BCHEHTR1AADRA1DADRA1A
SCHEMBL12572987 0.87 CYP2D6 (0.43) CYP2D6BCHEHTR1AADRA1DADRA1A
SCHEMBL2020317 0.86 DRD2 (0.49) HTR1ADRD2
SCHEMBL13120462 0.86 HTR1A (0.51) CYP2D6HTR1AADRA1DADRA1AADRA1B
SCHEMBL693013 0.86 HTR1A (0.51) CYP2D6HTR1AADRA1DADRA1AADRA1B
SCHEMBL2017755 0.84 SIGMAR1 (0.46) CYP2D6HTR1AADRA1DADRA1AADRA1B
SCHEMBL12572990 0.82 ALDH1A1 (0.47) LMNACYP2D6BCHEACHEBACE1
SCHEMBL2012961 0.81 CYP2D6 (0.47) CYP2D6BCHEHTR1AADRA1DADRA1A

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-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
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 LMNA 1849/4885POLB 4586/4885CYP2D6 358/4885

“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.