SCHEMBL314716

SCHEMBL314716

COc1ccc2c(c1)-n1c(-c3ccccc3)nnc1[C@H](C)CN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
ALDH1A1 P00352 5/20 0.44
OXTR P30559 2/20 0.42
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
AVPR2 P30518 2/20 0.37
AVPR1A P37288 2/20 0.37
STAT3 P40763 2/20 0.36
LRRK2 Q5S007 1/20 0.35
HTT P42858 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4B Q07343 1/20 0.35
HCRTR1 O43613 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL314717 1.00 HPGD (0.44) HPGDALDH1A1OXTRGLASMN1; SMN2
SCHEMBL314715 1.00 HPGD (0.44) HPGDALDH1A1OXTRGLASMN1; SMN2
SCHEMBL314460 0.93 ALDH1A1 (0.41) HPGDALDH1A1OXTRGLASMN1; SMN2
SCHEMBL314461 0.93 ALDH1A1 (0.41) HPGDALDH1A1OXTRGLASMN1; SMN2
SCHEMBL314462 0.93 ALDH1A1 (0.41) HPGDALDH1A1OXTRGLASMN1; SMN2
SCHEMBL313664 0.86 OXTR (0.43) HPGDALDH1A1OXTRGLASMN1; SMN2
SCHEMBL313665 0.86 OXTR (0.43) HPGDALDH1A1OXTRGLASMN1; SMN2
SCHEMBL313663 0.86 OXTR (0.43) HPGDALDH1A1OXTRGLASMN1; SMN2
SCHEMBL316638 0.86 AKT1 (0.36) HPGDALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL316637 0.86 AKT1 (0.36) HPGDALDH1A1SMN1; SMN2KDM4EGAA

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
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 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 (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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 HPGD 2258/4885ALDH1A1 2295/4885OXTR 2769/4885

“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.