SCHEMBL3658844

SCHEMBL3658844

CN(C)c1ccc(CC(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.57
ALDH1A1 P00352 5/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC1 Q13547 2/20 0.50
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL10611271 0.83 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL11290860 0.82 CA2 (0.80) CA2ALDH1A1KDM4E
SCHEMBL2862421 0.81 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL202439 0.81 CA2 (0.56) CA2ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL27278134 0.80 ALDH1A1 (0.49) CA2ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL28190787 0.80 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL28030690 0.80 AOC3 (0.61) CA2ALDH1A1TSHRCYP3A4MAPK1
Hydrochloric Acid SCHEMBL5113831 0.79 CA2 (0.54) CA2ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL5113828 0.79 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL13378361 0.79 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921317-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS Bayer Aktiengesellschaft (DE) 2021-12-15 EP claimed
WO-2020161257-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-13 WO claimed
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO claimed
US-5514521-A IRON ARENE INITIATOR, ANILINE SENSITIZER, CYANINE SENSITIZER, ACRYLATE MONOMER BROTHER KOGYO KABUSHIKI KAISHA (JP) 1996-05-07 US claimed
CN-108727307-A Compound and its application method 安吉奥斯医药品有限公司 2018-11-02 CN disclosed
CN-104936954-B Compounds and methods of use thereof 安吉奥斯医药品有限公司 2018-08-14 CN disclosed
CN-105263915-A Glutamase inhibitors and method of use AGIOS PHARMACEUTICALS INC 2016-01-20 CN disclosed
CN-104936954-A compounds and methods of use thereof AGIOS PHARMACEUTICALS INC 2015-09-23 CN disclosed
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO disclosed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US disclosed
US-5514521-A IRON ARENE INITIATOR, ANILINE SENSITIZER, CYANINE SENSITIZER, ACRYLATE MONOMER BROTHER KOGYO KABUSHIKI KAISHA (JP) 1996-05-07 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 CA2 852/4885ALDH1A1 1730/4885TSHR 3432/4885
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof AR, NAT1, TBXA2R CA2 2092/4885ALDH1A1 380/4885TSHR 116/4885

“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.