SCHEMBL11941209

SCHEMBL11941209

CCc1c(N2CC(C)OC(C)C2)ccc(NCc2ccc(N)cc2)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
KCNQ3 O43525 4/20 0.34
KCNQ2 O43526 4/20 0.34
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
USP30 Q70CQ3 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
PIM2 Q9P1W9 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL11935921 1.00 KDM4E (0.34) KDM4EHTTKCNQ3KCNQ2ALDH1A1
SCHEMBL11935880 0.89 KDM4E (0.37) KDM4EHTTKCNQ3KCNQ2ALDH1A1
SCHEMBL11935924 0.87 KDM4E (0.36) KDM4EHTTKCNQ3KCNQ2ALDH1A1
SCHEMBL11941213 0.87 KDM4E (0.36) KDM4EHTTKCNQ3KCNQ2ALDH1A1
SCHEMBL17090470 0.81 KDM4E (0.35) KDM4E
SCHEMBL17090454 0.81 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL13565945 0.81 KDM4E (0.35) KDM4E
SCHEMBL13565281 0.81 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL11935886 0.81 ALDH1A1 (0.39) KDM4EHTTKCNQ3KCNQ2ALDH1A1
SCHEMBL11941258 0.81 ALDH1A1 (0.39) KDM4EHTTKCNQ3KCNQ2ALDH1A1

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-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R KDM4E 1765/4885HTT 1625/4885KCNQ3 2066/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KDM4E 1429/4885HTT 1879/4885KCNQ3 3038/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KDM4E 2311/4885HTT 1387/4885KCNQ3 1492/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KDM4E 1334/4885HTT 1507/4885KCNQ3 2837/4885

“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.