SCHEMBL11941258

SCHEMBL11941258

CC1CN(c2cc(F)ccc2NCc2ccc(N)cc2)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NTRK1 P04629 1/20 0.34
PIK3CA P42336 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CSF1R P07333 1/20 0.33
HTR6 P50406 1/20 0.33
WDR5 P61964 2/20 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
SCHEMBL11935886 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1LMNAPOLB
SCHEMBL11935880 0.85 KDM4E (0.37) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL11935924 0.83 KDM4E (0.36) ALDH1A1SMN1; SMN2MEN1LMNAPOLB
SCHEMBL11941213 0.83 KDM4E (0.36) ALDH1A1SMN1; SMN2MEN1LMNAPOLB
SCHEMBL13105800 0.81 NTRK1 (0.40) ALDH1A1POLBMAPTKDM4EHTT
SCHEMBL11935884 0.81 NTRK1 (0.40) ALDH1A1POLBMAPTKDM4EHTT
SCHEMBL11941152 0.81 L3MBTL1 (0.34) ALDH1A1SMN1; SMN2MEN1POLBMAPT
SCHEMBL11940109 0.81 POLB (0.34) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL11935911 0.81 L3MBTL1 (0.34) ALDH1A1SMN1; SMN2MEN1POLBMAPT
SCHEMBL11935959 0.81 POLB (0.34) ALDH1A1SMN1; SMN2LMNAPOLBMAPT

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 ALDH1A1 3842/4885SMN1; SMN2 1734/4885MEN1 1550/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885SMN1; SMN2 2304/4885MEN1 2486/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4013/4885SMN1; SMN2 1782/4885MEN1 1233/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3361/4885SMN1; SMN2 2393/4885MEN1 2254/4885

“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.