SCHEMBL12508282

SCHEMBL12508282

O=C(CN1CCN(c2ccc(Cl)c(F)c2)CC1)Nc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.57
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
ALOX15 P16050 1/20 0.51
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL12508680 0.92 ALOX15 (0.61) ENPP2MAPTLMNATSHRMEN1
SCHEMBL12232964 0.91 ENPP2 (0.59) ENPP2MAPTLMNATSHRMEN1
SCHEMBL12232767 0.89 ENPP2 (0.57) ENPP2MAPTLMNATSHRMEN1
SCHEMBL12508682 0.88 MAPT (0.62) ENPP2MAPTLMNATSHRMEN1
SCHEMBL12232657 0.87 ENPP2 (0.55) ENPP2MAPTLMNATSHRMEN1
SCHEMBL12508679 0.86
SCHEMBL12232254 0.86 ENPP2 (0.48) ENPP2
SCHEMBL12508676 0.86 GRIN2D (0.52)
SCHEMBL12232542 0.86 MAPT (0.48) ENPP2MAPTLMNATSHRMEN1
SCHEMBL12232256 0.86 ENPP2 (0.45) ENPP2

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-20110172415-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2011-07-14 US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 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-20110172415-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 ENPP2 3898/4885MAPT 3860/4885LMNA 3424/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 ENPP2 3898/4885MAPT 3860/4885LMNA 3424/4885

“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.