SCHEMBL5373243

SCHEMBL5373243

COc1ccnc(-c2[c]nccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TAAR1 Q96RJ0 1/20 0.33
GAA P10253 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP4B1 P13584 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP2A7 P20853 1/20 0.33
CYP3A7 P24462 1/20 0.33
CYP2F1 P24903 1/20 0.33
CYP2C18 P33260 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL584984 0.69 KDM4E (0.31)
SCHEMBL533615 0.69 NPC1 (0.41) MTNR1AMTNR1BCYP1A1CYP1A2CYP2E1
SCHEMBL28020326 0.69 GAA (0.57) GAANPC1
SCHEMBL557963 0.69 CYP1A1 (0.38) MTNR1AMTNR1BTAAR1GAACYP1A1
SCHEMBL29524578 0.68 KMT2A (0.50) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL15483941 0.68 KMT2A (0.50) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL28020382 0.68 NPC1 (0.60) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL24920836 0.68 PPARA (0.35) MTNR1AMTNR1BTAAR1GAACYP1A1
SCHEMBL5084441 0.68 ALDH1A1 (0.44) MTNR1AMTNR1BTAAR1CYP1A1CYP1A2
SCHEMBL7031587 0.67 MEN1 (0.53) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279580-B2 Imidazo-pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LIMITED (GB) 2007-10-09 US disclosed
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2005-07-28 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 (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-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 MTNR1A 630/4885MTNR1B 912/4885TAAR1 214/4885

“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.