SCHEMBL4033430

SCHEMBL4033430

COc1cccnc1N(C)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
DRD4 P21917 4/20 0.49
DRD3 P35462 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GMNN O75496 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
PMP22 Q01453 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
DRD1 P21728 1/20 0.46
HTR2A P28223 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL22084511 0.78 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAHPGDTP53
SCHEMBL16333965 0.76 DRD2 (0.43) DRD2DRD4DRD3SMN1; SMN2GMNN
SCHEMBL8408485 0.75 DRD2 (0.46) DRD2DRD4DRD3SMN1; SMN2GMNN
SCHEMBL8409626 0.74 DRD2 (0.61) DRD2DRD4DRD3SMN1; SMN2GMNN
SCHEMBL8791841 0.73 DRD2 (0.44) DRD2DRD4DRD3SMN1; SMN2GMNN
SCHEMBL1442188 0.72 L3MBTL1 (0.72) SMN1; SMN2ALDH1A1LMNATDP1KDM4E
SCHEMBL27461153 0.72 CA1 (0.44) DRD2DRD4DRD3ALDH1A1TDP1
SCHEMBL15966081 0.70 LRRK2 (0.52) LRRK2MAPT
SCHEMBL3716902 0.70 PARP1 (0.44) DRD2DRD4DRD3SMN1; SMN2GMNN
SCHEMBL24350922 0.68 CHRM4 (0.51) HTR1ASLC6A2SLC6A4SLC6A3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP disclosed
US-20060079519-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-13 US disclosed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO 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-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A DRD2 4306/4885DRD4 4331/4885DRD3 4511/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A DRD2 4306/4885DRD4 4331/4885DRD3 4511/4885

“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.