SCHEMBL584259

SCHEMBL584259

COCC(=O)N1CCC(N)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 2/20 0.40
CACNA1B Q00975 2/20 0.40
SLC9A1 P19634 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 2/20 0.40
CYP2D6 P10635 4/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.39
USP2 O75604 1/20 0.38

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
Hydrochloric Acid SCHEMBL27080580 0.98 GNAI3 (0.54) GNAI3GNAO1GNAI1KMT2AALDH1A1
SCHEMBL3425809 0.89 GNAI3 (0.41) GNAI3GNAO1GNAI1KMT2AALDH1A1
SCHEMBL2686951 0.89 GNAI3 (0.41) GNAI3GNAO1GNAI1KMT2AALDH1A1
SCHEMBL16826909 0.83 NAMPT (0.46) GNAI3GNAO1GNAI1KMT2AALDH1A1
SCHEMBL10313328 0.82 KMT2A (0.46) KMT2AALDH1A1CYP1A2CYP2C9MAPT
SCHEMBL7706487 0.82 ALDH1A1 (0.60) KMT2AALDH1A1MAPTNPC1TSHR
SCHEMBL3400613 0.81 NCF1 (0.44) KMT2AALDH1A1CYP1A2CYP2C9SLC9A1
SCHEMBL585029 0.81 GNAI3 (0.57) GNAI3GNAO1GNAI1KMT2AALDH1A1
SCHEMBL3400610 0.81 GAA (0.57) KMT2AMAPTPOLBTSHRPKM
SCHEMBL14010813 0.81

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP claimed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US claimed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US claimed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP claimed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US claimed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO claimed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US claimed
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 US disclosed
WO-2024134466-A1 SUBSTITUTED ARYLAMINE COMPOUNDS, SUBSTITUTED HETEROARYLAMINE COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-06-27 WO disclosed
EP-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 EP disclosed
CN-117412959-A Substituted 1-aryl-1 '-heteroaryl compounds, substituted 1,1' -biaryl compounds, and methods of use thereof 爱彼特生物制药公司 2024-01-16 CN disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 US disclosed
WO-2008033562-A2 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-03-20 WO 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 (5 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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 GNAI3 598/4885GNAO1 1285/4885GNAI1 531/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 GNAI3 598/4885GNAO1 1285/4885GNAI1 531/4885
US-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT GNAI3 2791/4885GNAO1 3474/4885GNAI1 2622/4885
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS GNAI3 835/4885GNAO1 764/4885GNAI1 618/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A GNAI3 1092/4885GNAO1 2036/4885GNAI1 1630/4885

“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.