SCHEMBL3881848

SCHEMBL3881848

CCN(CC)CCn1c(=O)c(Cc2ccc(O)cc2)nc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.77
ADORA3 P0DMS8 1/20 0.77
ADRA2B P18089 1/20 0.77
ADRA2C P18825 1/20 0.77
HTR2A P28223 1/20 0.77
HTR2C P28335 1/20 0.77
ADRA1A P35348 1/20 0.77
PTGS2 P35354 1/20 0.77
HRH1 P35367 1/20 0.77
DRD3 P35462 1/20 0.77
OPRD1 P41143 1/20 0.77
OPRK1 P41145 1/20 0.77
HTR3A P46098 1/20 0.77
PDE4D Q08499 1/20 0.77
KCNH2 Q12809 1/20 0.77
GHSR Q92847 1/20 0.77
HRH3 Q9Y5N1 1/20 0.77
MAOA P21397 5/20 0.53
PKM P14618 1/20 0.53
TOP2A P11388 1/20 0.53

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
Caroverine SCHEMBL28086487 0.88 DRD3 (0.89) MLNRADORA3ADRA2BADRA2CHTR2A
Caroverine SCHEMBL31128388 0.87 DRD3 (1.00) MLNRADORA3ADRA2BADRA2CHTR2A
Caroverine SCHEMBL25946 0.87 DRD3 (1.00) MLNRADORA3ADRA2BADRA2CHTR2A
Caroverine SCHEMBL2258789 0.86 DRD3 (0.98) MLNRADORA3ADRA2BADRA2CHTR2A
Caroverine SCHEMBL1649725 0.85 DRD3 (0.96) MLNRADORA3ADRA2BADRA2CHTR2A
SCHEMBL3888449 0.85 MLNR (0.57) MLNRADORA3ADRA2BADRA2CHTR2A
Caroverine SCHEMBL7279211 0.82 DRD3 (0.85) MLNRADORA3ADRA2BADRA2CHTR2A
SCHEMBL3910855 0.78 MAOA (0.52) MLNRADORA3ADRA2BADRA2CHTR2A
Caroverine SCHEMBL11330670 0.78 DRD3 (0.76) MLNRADORA3ADRA2BADRA2CHTR2A
SCHEMBL3903902 0.76 PDE4D (0.46) MLNRADORA3ADRA2BADRA2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530455-B1 A PHARMACEUTICAL FORMULATION AND ITS USE IN THE TREATMENT OF INNER EAR DISEASES PHAFAG AG (LI) 2009-03-18 EP claimed
EP-1087768-B1 USE OF 1-(AMINOALKYL)-3-QUINOXALINE-2-ONE DERIVATIVES FOR THE PREPARATION OF COMPOUNDS HAVING AN ANTIOXIDANT ACTION PHAFAG AG (LI) 2009-01-14 EP claimed
US-20080200424-A1 Preparation for Treating Cancer IMMUNOPHARM AG (LI) 2008-08-21 US claimed
EP-1742636-A2 PREPARATION FOR THE TREATMENT CANCER Immunopharm Aktiengesellschaft (LI) 2007-01-17 EP claimed
US-20050288292-A1 Pharmaceutical formulation and its use in the treatment of inner ear diseases PHAFAG AG (LI) 2005-12-29 US claimed
WO-2005105098-A2 PREPARATION FOR THE TREATMENT OF CANCER IMMUNOPHARM AKTIENGESELLSCHAFT (LI) 2005-11-10 WO claimed
US-20010006966-A1 Use of 1- (aminoalkyl) -3-quinoxaline-2-on derivatives for the preparation of compounds having an antioxidant action PHAFAG AKTIENGESELLSCHAFT (LI) 2001-07-05 US claimed
EP-0542689-B1 Use of 1-(aminoalkyl)-3-quinoxaline-2-on derivatives for the preparation of neuroprotective compositions PHAFAG AG (LI) 1998-09-23 EP claimed
US-5563140-A Use of 1-(aminoalkyl)-3-(benzyl)-quinoxaline-2-one derivatives for the preparation of neuroprotective compositions PHAFAG AKTIENGESELLSCHAFT (LI) 1996-10-08 US claimed
EP-0542689-A1 Use of 1-(aminoalkyl)-3-quinoxaline-2-on derivatives for the preparation of neuroprotective compositions PHAFAG AKTIENGESELLSCHAFT (LI) 1993-05-19 EP claimed
EP-1530455-B1 A PHARMACEUTICAL FORMULATION AND ITS USE IN THE TREATMENT OF INNER EAR DISEASES PHAFAG AG (LI) 2009-03-18 EP disclosed
EP-1087768-B1 USE OF 1-(AMINOALKYL)-3-QUINOXALINE-2-ONE DERIVATIVES FOR THE PREPARATION OF COMPOUNDS HAVING AN ANTIOXIDANT ACTION PHAFAG AG (LI) 2009-01-14 EP disclosed
US-20080200424-A1 Preparation for Treating Cancer IMMUNOPHARM AG (LI) 2008-08-21 US disclosed
US-20050288292-A1 Pharmaceutical formulation and its use in the treatment of inner ear diseases PHAFAG AG (LI) 2005-12-29 US disclosed
US-6573265-B2 Preventing or treating diseases caused by free radicals of the cellular oxygen metabolism, stimulating nerve cell growth, antagonizing glutamate receptors and/or stimulating the growth notably of glutamergic nerve cells; anticarcinogenic agents; PHAFAG AKTIENGESELLSCHAFT (LI) 2003-06-03 US disclosed
US-20010006966-A1 Use of 1- (aminoalkyl) -3-quinoxaline-2-on derivatives for the preparation of compounds having an antioxidant action PHAFAG AKTIENGESELLSCHAFT (LI) 2001-07-05 US disclosed
EP-1087768-A1 USE OF 1-(AMINOALKYL)-3-QUINOXALINE-2-ONE DERIVATIVES FOR THE PREPARATION OF COMPOUNDS HAVING AN ANTIOXIDANT ACTION PHAFAG AKTIENGESELLSCHAFT (LI) 2001-04-04 EP disclosed
WO-1999066931-A1 USE OF 1-(AMINOALKYL)-3-QUINOXALINE-2-ONE DERIVATIVES FOR THE PREPARATION OF COMPOUNDS HAVING AN ANTIOXIDANT ACTION PHAFAG AKTIENGESELLSCHAFT (LI) 1999-12-29 WO disclosed
EP-0542689-B1 Use of 1-(aminoalkyl)-3-quinoxaline-2-on derivatives for the preparation of neuroprotective compositions PHAFAG AG (LI) 1998-09-23 EP 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 (3 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-20010006966-A1 Use of 1- (aminoalkyl) -3-quinoxaline-2-on derivatives for the preparation of compounds having an antioxidant action GLS, GLUL, GLS2 MLNR 1977/4885ADORA3 705/4885ADRA2B 1330/4885
US-20050288292-A1 Pharmaceutical formulation and its use in the treatment of inner ear diseases SLC26A4, TIMM10, AQP1 MLNR 3939/4885ADORA3 1004/4885ADRA2B 1164/4885
US-20080200424-A1 Preparation for Treating Cancer CBS, SCLY, GPX1 MLNR 3042/4885ADORA3 3222/4885ADRA2B 2296/4885

“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.