SCHEMBL2015975

SCHEMBL2015975

CN1CCN2c3cc(-c4cccc(S(C)(=O)=O)c4)ccc3OCC[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.42
SOS1 Q07889 1/20 0.39
DPP4 P27487 2/20 0.38
MTOR P42345 2/20 0.37
PIK3CB P42338 1/20 0.37
PRKDC P78527 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
PDE4A P27815 1/20 0.36
ACVR1 Q04771 2/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2013148 0.83 HTR2C (0.40) DPP4MTORPIK3CBPRKDCATM
SCHEMBL693526 0.75 HTR2C (0.40) MTORPIK3CBPRKDCATMATR
SCHEMBL2017678 0.74 SOS1 (0.41) SOS1LMNADRD2DRD3KCNH2
SCHEMBL2566784 0.74 SOS1 (0.41) SOS1LMNADRD2DRD3KCNH2
SCHEMBL2016220 0.73 SOS1 (0.41) SOS1ATMRAB9ALMNADRD2
SCHEMBL696852 0.73 SOS1 (0.41) SOS1ATMRAB9ALMNADRD2
SCHEMBL2016050 0.68 ALOX5AP (0.42) PDE3BPDE3A
SCHEMBL2018737 0.67 SOS1 (0.41) SOS1LMNADRD2DRD3KCNH2
SCHEMBL2016529 0.66 HTR2C (0.46)
SCHEMBL2562895 0.66 HTR2C (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP claimed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP claimed
EP-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP claimed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO claimed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US claimed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
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
EP-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP disclosed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO 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 GRIA2 257/4885SOS1 2286/4885DPP4 1092/4885

“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.