SCHEMBL4507584

SCHEMBL4507584

CN(C)C(=O)c1ccccc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.51
HTR6 P50406 3/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD2 P14416 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.47
OPRD1 P41143 1/20 0.47
HTR7 P34969 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR5A P47898 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL4062289 0.88 ADRB1 (0.49) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL20597885 0.85 NPC1 (0.60) LMNAMAPTTSHRNPC1ALDH1A1
SCHEMBL5332592 0.84 HCRTR1 (0.51) ADRB1DRD2DRD3OPRD1HTR1A
SCHEMBL3192640 0.83 ADRB1 (0.44) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL17479673 0.83 ADRB1 (0.42) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL28508530 0.83 HDAC3 (0.51) DRD2DRD3LMNAMAPTNPC1
SCHEMBL4458672 0.82 ADRB1 (0.56) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL31349267 0.82 ADRB1 (0.56) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL5707829 0.82 ADRB1 (0.56) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL27794441 0.81 ALDH1A1 (0.48) CYP2C19LMNAMAPTCYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532066-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES Inhibikase Therapeutics, Inc. (US) 2019-09-04 EP disclosed
WO-2018081251-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. (US) 2018-05-03 WO disclosed
EP-3286179-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES Inhibikase Therapeutics, Inc. (US) 2018-02-28 EP disclosed
WO-2016172528-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. (US) 2016-10-27 WO disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 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 (2 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R ADRB1 213/4885HTR6 324/4885HTR3E 249/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R ADRB1 213/4885HTR6 324/4885HTR3E 249/4885

“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.