SCHEMBL4870090

SCHEMBL4870090

COc1cc(Cl)c2c(c1)OCCN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.36
PDE7A Q13946 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2B P41595 3/20 0.35
HTR2C P28335 2/20 0.35
ADRB1 P08588 2/20 0.35
HTR7 P34969 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PTGER3 P43115 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4868284 0.82 ALDH1A1 (0.37) GRM1ALDH1A1MAPTGAAHSD17B10
SCHEMBL19737592 0.78 ALDH1A1 (0.46) GRM1PDE7AALDH1A1MAPTGAA
SCHEMBL30954167 0.75 FABP6 (0.41) ALDH1A1MAPTGAAHSD17B10MEN1
SCHEMBL15828688 0.74 MAPT (0.36) GRM1ALDH1A1MAPTGAAHSD17B10
SCHEMBL19737593 0.74 MAPT (0.36) ALDH1A1MAPTGAAHSD17B10SMN1; SMN2
SCHEMBL27432820 0.74 ALDH1A1 (0.33) GRM1ALDH1A1MAPTGAAHSD17B10
SCHEMBL4866774 0.71 ACHE (0.47) PDE7AALDH1A1MAPTHTR2BHTR2C
SCHEMBL4233305 0.70 ALDH1A1 (0.49) ALDH1A1MAPTGAAHSD17B10HTR2B
SCHEMBL31435210 0.70 ALDH1A1 (0.49) ALDH1A1MAPTGAAHSD17B10HTR2B
Hydrochloric Acid SCHEMBL4864345 0.70 ACHE (0.46) PDE7AALDH1A1MAPTHTR2BHTR2C

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-7319100-B2 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-15 US disclosed
US-20070155740-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-05 US disclosed
US-7205306-B2 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-04-17 US disclosed
EP-1392309-B1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2007-01-17 EP disclosed
US-20030171380-A1 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-09-11 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-20030171380-A1 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands CRH, CRHR1, CRHR2 GRM1 90/4885PDE7A 490/4885ALDH1A1 2333/4885
US-20070155740-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS CRH, CRHR1, CRHR2 GRM1 96/4885PDE7A 459/4885ALDH1A1 2429/4885

“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.