SCHEMBL6732495

SCHEMBL6732495

CN(c1cccnc1)c1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
GRM5 P41594 4/20 0.46
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.43
RET P07949 1/20 0.41
KIF5B P33176 1/20 0.41
KDR P35968 1/20 0.41
KCNA5 P22460 1/20 0.40
CYP1A2 P05177 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL3409401 0.83 KCNA5 (0.49) ALDH1A1GRM5CYP3A4KCNA5CYP1A2
SCHEMBL6730575 0.82 NPC1 (0.54) ALDH1A1TSHRGRM5MAPTKCNA5
Hydrochloric Acid SCHEMBL4024971 0.81 KCNA5 (0.47) ALDH1A1GRM5CYP3A4KCNA5CYP1A2
SCHEMBL13367476 0.81 KDM4C (0.44) ALDH1A1TSHRGRM5MAPTKCNA5
SCHEMBL12412921 0.79 MEN1 (0.51) GRM5CYP3A4KDRKCNA5RECQL
SCHEMBL23079716 0.78 CYP19A1 (0.45) ALDH1A1TSHRGRM5CYP3A4KCNA5
SCHEMBL15708830 0.78 KMO (0.56) ALDH1A1TSHRGRM5MAPTKDM4E
SCHEMBL2096469 0.77 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4RETKIF5B
SCHEMBL5075470 0.77 KCNA5 (0.50) ALDH1A1GRM5CYP3A4MAPTKCNA5
SCHEMBL13367575 0.75 KCNA5 (0.41) ALDH1A1GRM5KCNA5KDM4E

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
US-6800651-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-10-05 US disclosed
US-20040006114-A1 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP disclosed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 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-20040006114-A1 Potentiators of glutamate receptors GRM1, GRIN1, GRM2 ALDH1A1 1187/4885TSHR 270/4885GRM5 18/4885

“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.