SCHEMBL3093644

SCHEMBL3093644

Cc1ncc(C2=CCN(Cc3ccccc3)C2)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
HTR1A P08908 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MC4R P32245 1/20 0.38
GAA P10253 1/20 0.38
NAMPT P43490 1/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
Hydrochloric Acid SCHEMBL10354317 0.80 DRD2 (0.49) DRD4LMNAPOLBDRD2DRD3
SCHEMBL3097820 0.77 ALDH1A1 (0.45) DRD4ALDH1A1LMNAPOLBDRD2
SCHEMBL3097419 0.76 SIGMAR1 (0.44) DRD4ALDH1A1TSHRALOX15TDP1
SCHEMBL10827328 0.75 DRD4 (0.49) DRD4DRD2DRD3HTR1ASIGMAR1
Hydrochloric Acid SCHEMBL11020008 0.74 DRD4 (0.48) DRD4DRD2DRD3HTR1ASIGMAR1
SCHEMBL1822876 0.74 HTR1A (0.46) DRD4TDP1LMNAPOLBDRD2
SCHEMBL6621542 0.73 SIGMAR1 (0.52) DRD4ALDH1A1TDP1LMNAPOLB
SCHEMBL10827696 0.71 DRD2 (0.49) ALDH1A1ALOX15DRD2DRD3SIGMAR1
SCHEMBL1824893 0.71 SIGMAR1 (0.40) DRD4ALDH1A1POLBDRD2DRD3
Hydrochloric Acid SCHEMBL11019494 0.70 DRD2 (0.48) ALDH1A1ALOX15DRD2DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919908-B1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2010-11-10 EP disclosed
EP-1919908-B1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2010-11-10 EP disclosed
US-7799815-B2 Triazole derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-7799815-B2 Triazole derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-7799815-B2 Triazole derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
WO-2007022933-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 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 (1 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-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR5A, HTR3C DRD4 14/4885ALDH1A1 2304/4885TSHR 181/4885

“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.