SCHEMBL12419755

SCHEMBL12419755

O=C(NCCC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.50
▸ ENPP2 Q13822 3/20 0.48
▸ CHRM2 P08172 3/20 0.48
▸ CHRM1 P11229 3/20 0.48
▸ CETP P11597 5/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ CHRM5 P08912 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMYD3 Q9H7B4 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ ATXN2 Q99700 1/20 0.43

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
SCHEMBL12419750 0.87 CETP (0.51) CHRM4ENPP2CHRM2CETPKCNH2
SCHEMBL12208785 0.83 ENPP2 (0.49) ENPP2CHRM2CHRM1KCNH2KDM4E
SCHEMBL12508490 0.82 L3MBTL1 (0.49) ENPP2KDM4EABL1LMNAKMT2A
SCHEMBL12419748 0.80 CHRM4 (0.55) CHRM4CHRM2CHRM1CETPCHRM5
SCHEMBL12419752 0.80 KCNH2 (0.53) ENPP2CETPKCNH2KDM4ELMNA
SCHEMBL12208777 0.80 ENPP2 (0.50) ENPP2CHRM2CHRM1KCNH2SMYD3
SCHEMBL12508669 0.78 KCNH2 (0.57) ENPP2CETPKCNH2SMYD3ATXN2
SCHEMBL12419751 0.78 ENPP2 (0.53) ENPP2KCNH2KDM4ELMNASMYD3
SCHEMBL1730242 0.76 CHRM4 (0.68) CHRM4CHRM2CHRM1CHRM5CHRM3
Hydrochloric Acid SCHEMBL3646340 0.74 CETP (0.58) CHRM4CHRM2CHRM1CETPKDM4E

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 6 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-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 CHRM4 150/4885ENPP2 3898/4885CHRM2 128/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 CHRM4 150/4885ENPP2 3898/4885CHRM2 128/4885

“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.

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