SCHEMBL8924899

SCHEMBL8924899

CN1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.60
KCNH2 Q12809 1/20 0.60
MAOB P27338 3/20 0.50
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 8/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
LMNA P02545 1/20 0.42

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
SCHEMBL8925245 0.91 DRD3 (0.54) DRD3KCNH2MAOBERCC1ERCC4
SCHEMBL6824230 0.79 LMNA (0.45) DRD3KCNH2ERCC1ERCC4POLB
SCHEMBL8916010 0.78 POLB (0.60) DRD3KCNH2POLBKMT2ASIGMAR1
SCHEMBL19013965 0.78 KMT2A (0.55) DRD3KCNH2POLBSMN1; SMN2KMT2A
SCHEMBL13181440 0.75 KDM4E (0.48) DRD3KCNH2ERCC1ERCC4POLB
SCHEMBL2580263 0.75 SMN1; SMN2 (0.56) DRD3KCNH2MAOBPOLBSMN1; SMN2
SCHEMBL11730441 0.74 MAPT (0.65) DRD3KCNH2MAOBPOLBSMN1; SMN2
SCHEMBL1937568 0.74 KDM4E (0.47) DRD3KCNH2MAOBPOLBKMT2A
SCHEMBL4177453 0.74 ADORA2A (0.51) DRD3KCNH2MAOBPOLBSMN1; SMN2
SCHEMBL16509722 0.73 ALDH1A1 (0.55) DRD3KCNH2MAOBPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4063022-A GASTRIC ACID MORTON-NORWICH PRODUCTS, INC. (US) 1977-12-13 US claimed
US-4052383-A ANTIOBESITY SCHERING CORPORATION (US) 1977-10-04 US claimed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
US-4063022-A GASTRIC ACID MORTON-NORWICH PRODUCTS, INC. (US) 1977-12-13 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 DRD3 104/4885KCNH2 178/4885MAOB 765/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 DRD3 1056/4885KCNH2 407/4885MAOB 3143/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 DRD3 1364/4885KCNH2 1142/4885MAOB 402/4885

“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.