SCHEMBL319214

SCHEMBL319214

COc1ccc(C(=O)CCCI)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.70
HDAC8 Q9BY41 4/20 0.62
HDAC1 Q13547 4/20 0.62
MAPT P10636 1/20 0.62
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
MMP1 P03956 1/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
GSK3B P49841 1/20 0.58
KMT2A Q03164 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 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
SCHEMBL31557724 0.89 MAPT (0.66) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL4082864 0.89 PDE4B (0.86) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL3171960 0.89 PDE4B (0.79) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL16552644 0.85 MMP1 (0.76) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL14960093 0.84 PDE4B (0.68) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL4530719 0.84 PDE4B (0.72) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL30552506 0.84 PDE4B (0.72) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL16297892 0.82 PDE4B (0.70) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL99448 0.82 PDE4B (1.00) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL319315 0.82 PDE4B (0.70) PDE4BHDAC8HDAC1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 PDE4B 510/4885HDAC8 4095/4885HDAC1 2613/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 PDE4B 510/4885HDAC8 4095/4885HDAC1 2613/4885

“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.