SCHEMBL3629649

SCHEMBL3629649

Cc1ccc2c(c1)N1CCN(Cc3ccccc3)C[C@@H]1CCO2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP2D6 P10635 1/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
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
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR2 P34972 1/20 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
SCHEMBL2017764 0.91 LMNA (0.44) MAPTCYP2D6LMNAPOLBBCHE
SCHEMBL2012961 0.88 CYP2D6 (0.47) MAPTCYP2D6BCHEHTR1AADRA1D
SCHEMBL13120462 0.86 HTR1A (0.51) CYP2D6HTR1AADRA1DADRA1AADRA1B
SCHEMBL693013 0.86 HTR1A (0.51) CYP2D6HTR1AADRA1DADRA1AADRA1B
SCHEMBL2017755 0.84 SIGMAR1 (0.46) CYP2D6HTR1AADRA1DADRA1AADRA1B
SCHEMBL692590 0.81 CYP2D6 (0.44) CYP2D6BCHEHTR1AADRA1DADRA1A
SCHEMBL2014482 0.81 CYP2D6 (0.44) CYP2D6BCHEHTR1AADRA1DADRA1A
SCHEMBL12572987 0.80 CYP2D6 (0.43) MAPTCYP2D6BCHEHTR1AADRA1D
SCHEMBL2020317 0.80 DRD2 (0.49) HTR1ADRD2
SCHEMBL2016301 0.79 DRD2 (0.47) CYP2D6LMNAPOLBBCHEHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
EP-2421870-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-03-09 EP disclosed
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP disclosed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US disclosed
US-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US disclosed
US-8518933-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-08-27 US disclosed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 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 (4 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-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAPT 4016/4885CYP2D6 358/4885LMNA 1849/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAPT 4016/4885CYP2D6 358/4885LMNA 1849/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAPT 4016/4885CYP2D6 358/4885LMNA 1849/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAPT 4016/4885CYP2D6 358/4885LMNA 1849/4885

“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.