SCHEMBL140310

SCHEMBL140310

CC(=O)OCCN1CCc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
NCOR2 Q9Y618 2/20 0.56
MAOB P27338 5/20 0.54
DRD2 P14416 3/20 0.53
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
SLC6A4 P31645 2/20 0.53
HTR7 P34969 2/20 0.53
HRH1 P35367 2/20 0.53
DRD3 P35462 2/20 0.53
HTR2B P41595 2/20 0.53
SLC18A3 Q16572 1/20 0.53
KDM4E B2RXH2 3/20 0.52
ALOX15 P16050 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL141699 0.92 MAOB (0.61) HDAC3HDAC1HDAC8NCOR2MAOB
SCHEMBL27617685 0.89 SLC18A3 (0.56) HDAC3HDAC1HDAC8NCOR2MAOB
SCHEMBL10514635 0.86 HDAC3 (0.54) HDAC3HDAC1HDAC8NCOR2MAOB
SCHEMBL29223993 0.85 HDAC3 (0.56) HDAC3HDAC1HDAC8NCOR2DRD2
SCHEMBL27593297 0.82 NR1H2 (0.49) MAOBDRD2DRD3SLC18A3KDM4E
SCHEMBL10090165 0.80 MEN1 (0.62) MAOBDRD2HTR1AHTR2AHTR7
SCHEMBL29865235 0.80 MEN1 (0.62) MAOBDRD2HTR1AHTR2AHTR7
Acetic Acid SCHEMBL6524206 0.79 DRD2 (0.59) HDAC3HDAC1HDAC8NCOR2MAOB
SCHEMBL7276869 0.77 HDAC3 (0.60) HDAC3HDAC1HDAC8NCOR2DRD2
SCHEMBL28348107 0.77 HTR1A (0.60) HDAC3HDAC1HDAC8NCOR2MAOB

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 HDAC3 1280/4885HDAC1 781/4885HDAC8 506/4885
US-20110056508-A1 BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE KRT18, H1-3, H1-2 HDAC3 95/4885HDAC1 173/4885HDAC8 407/4885
US-20110146005-A1 CATIONIC DIHYDROISOQUINOLINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS KRT18, QDPR, DSG1 HDAC3 252/4885HDAC1 214/4885HDAC8 466/4885

“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.