SCHEMBL193442

SCHEMBL193442

C1CC(N2CC[N]CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
SLC18A3 Q16572 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 1/20 0.33
KDM2B Q8NHM5 5/20 0.32
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL42221 0.94 PHGDH (0.39) PHGDHMGLLSLC18A3HTR6POLB
SCHEMBL1447602 0.93 L3MBTL1 (0.34) PHGDHMGLLSLC18A3L3MBTL3L3MBTL1
SCHEMBL42786 0.92 PHGDH (0.42) PHGDHMGLLSLC18A3HTR6POLB
SCHEMBL7503884 0.92 PHGDH (0.42) PHGDHMGLLSLC18A3HTR6POLB
SCHEMBL41910 0.92 PHGDH (0.42) PHGDHMGLLSLC18A3HTR6POLB
SCHEMBL188355 0.88
SCHEMBL337764 0.87 L3MBTL1 (0.34) PHGDHMGLLSLC18A3L3MBTL3L3MBTL1
SCHEMBL9432067 0.85 PHGDH (0.38) PHGDHMGLLSLC18A3L3MBTL3L3MBTL1
SCHEMBL597739 0.84 L3MBTL1 (0.35) L3MBTL3L3MBTL1HTR6MEN1KMT2A
SCHEMBL9558031 0.80 HTR6 (0.38) L3MBTL3L3MBTL1HTR6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-2265602-B1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER IP GMBH (DE) 2015-04-08 EP claimed
EP-2440204-B1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-12-18 EP claimed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US claimed
CN-102458402-B Nicotinamide compounds useful as kinase modulators BRISTOL MYERS SQUIBB CO 2013-10-02 CN claimed
US-8362067-B2 3-aminoalkyl-1,3-dihydro-2H-indol-2-one derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 US claimed
CN-102458402-A Nicotinamide compounds useful as kinase modulators BRISTOL MYERS SQUIBB CO 2012-05-16 CN claimed
EP-2440204-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2012-04-18 EP claimed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US claimed
EP-2331546-B1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-02-01 EP claimed
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US claimed
EP-2049473-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP claimed
EP-2049466-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP claimed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
US-7479493-B2 Substituted benzyl amine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-20 US claimed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO claimed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US claimed
US-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US claimed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed
WO-2008002817-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed

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-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 PHGDH 2352/4885MGLL 3048/4885SLC18A3 31/4885
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 PHGDH 1401/4885MGLL 4034/4885SLC18A3 275/4885
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 PHGDH 2061/4885MGLL 2883/4885SLC18A3 32/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 PHGDH 2061/4885MGLL 2883/4885SLC18A3 32/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT PHGDH 1572/4885MGLL 1749/4885SLC18A3 4230/4885

“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.