SCHEMBL1451973

SCHEMBL1451973

OCCN1CCc2ccc[c]c2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
HTR1A P08908 5/20 0.38
HTR7 P34969 5/20 0.38
DRD3 P35462 5/20 0.38
HTR2A P28223 4/20 0.38
HTR2B P41595 4/20 0.38
SLC18A3 Q16572 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 3/20 0.37
HRH1 P35367 2/20 0.37
SLC6A4 P31645 1/20 0.37
PNMT P11086 1/20 0.36
ALOX15 P16050 1/20 0.36
HDAC2 Q92769 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL4144104 0.88 HDAC3 (0.38) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL693732 0.77 PNMT (0.50) HTR2BKDM4EHRH1PNMT
SCHEMBL1193409 0.76 HDAC3 (0.59) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL30381429 0.76 HDAC3 (0.59) HDAC3HDAC1HDAC8NCOR2HTR1A
Bromide SCHEMBL6522977 0.75 HDAC3 (0.58) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL6811660 0.74 SLC18A3 (0.52) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL216386 0.70 HDAC3 (0.39) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL1951737 0.70 HDAC3 (0.39) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL1451218 0.69 NOTUM (0.61) ALDH1A1ALOX15
Acetic Acid SCHEMBL6524206 0.69 DRD2 (0.59) HDAC3HDAC1HDAC8NCOR2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 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 (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-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 HDAC3 253/4885HDAC1 398/4885HDAC8 787/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 HDAC3 253/4885HDAC1 398/4885HDAC8 787/4885

“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.