SCHEMBL141699

SCHEMBL141699

CC(=O)OCCCN1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.61
TDP1 Q9NUW8 1/20 0.59
PRMT5 O14744 1/20 0.58
WDR77 Q9BQA1 1/20 0.58
HTR1A P08908 4/20 0.58
DRD2 P14416 4/20 0.58
HTR2A P28223 4/20 0.58
HTR7 P34969 4/20 0.58
DRD3 P35462 4/20 0.58
HTR2B P41595 4/20 0.58
HRH1 P35367 3/20 0.58
SLC6A4 P31645 2/20 0.58
HTR5A P47898 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
MAOA P21397 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
NCOR2 Q9Y618 1/20 0.55

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
SCHEMBL140310 0.92 HDAC3 (0.56) MAOBHTR1ADRD2HTR2AHTR7
SCHEMBL28348107 0.86 HTR1A (0.60) MAOBTDP1PRMT5WDR77HTR1A
SCHEMBL19957707 0.81 TDP1 (0.70) TDP1HTR1ADRD2HTR2AHTR7
SCHEMBL27617685 0.81 SLC18A3 (0.56) MAOBPRMT5WDR77HTR1ADRD2
Acetic Acid SCHEMBL6524435 0.80 DRD3 (0.64) MAOBHTR1ADRD2HTR2AHTR7
SCHEMBL10514635 0.78 HDAC3 (0.54) MAOBTDP1PRMT5WDR77DRD2
SCHEMBL12685359 0.78 TDP1 (0.59) MAOBTDP1HTR1ADRD2HTR2A
SCHEMBL13135921 0.78 CYP2D6 (0.63) PRMT5WDR77HTR1ADRD2HTR2A
SCHEMBL29223993 0.77 HDAC3 (0.56) PRMT5WDR77HTR1ADRD2HTR2A
SCHEMBL28058027 0.77 HTR5A (0.59) TDP1HTR1ADRD2HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274056-B1 BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOCHINOLINIUM DERIVATIVES, SPECIFIC ALKANOLAMINES AND HYDROGEN PEROXYDE HENKEL AG & CO KGAA (DE) 2012-10-03 EP claimed
US-20110146005-A1 CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS GROSS WIBKE 2011-06-23 US claimed
US-20110056508-A1 BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE GROSS WIBKE 2011-03-10 US claimed
US-9693937-B2 Foil applicator HENKEL AG & CO. KGAA (DE) 2017-07-04 US disclosed
US-20150174019-A1 FOIL APPLICATOR HENKEL AG & CO. KGAA (DE) 2015-06-25 US disclosed
US-20120055500-A1 Foil Applicator HENKEL AG & CO. KGAA (DE) 2012-03-08 US disclosed
US-8025704-B2 Matting additive for blond hair dyeing HENKEL AG & CO. KGAA (DE) 2011-09-27 US disclosed
US-20110146005-A1 CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS GROSS WIBKE 2011-06-23 US disclosed
US-20110126361-A1 Matting Additive for Blond Hair Dyeing MANNECK HARTMUT 2011-06-02 US disclosed
US-20110056508-A1 BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE GROSS WIBKE 2011-03-10 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 (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-20110126361-A1 Matting Additive for Blond Hair Dyeing LDHB, HMBS, HBB MAOB 14/4885TDP1 3708/4885PRMT5 525/4885
US-20110056508-A1 BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE KRT18, H1-3, H1-2 MAOB 66/4885TDP1 1629/4885PRMT5 2424/4885
US-20110146005-A1 CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS KRT18, QDPR, DSG1 MAOB 874/4885TDP1 3507/4885PRMT5 2550/4885

“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.