SCHEMBL11934828

SCHEMBL11934828

NC1CCC(CNc2cccnc2Oc2ccc(F)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
HTR1A P08908 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 1/20 0.49
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 1/20 0.45
P2RY1 P47900 5/20 0.43
TRPA1 O75762 5/20 0.42
BRD4 O60885 1/20 0.41
ROCK2 O75116 2/20 0.40
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL13438694 1.00 MAPT (0.50) MAPTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13565603 0.82 MAPT (0.46) MAPTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13565874 0.82 MAPT (0.46) MAPTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL17090481 0.82 MAPT (0.46) MAPTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL11934973 0.76 MAPT (0.54) MAPTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13113420 0.75 MAPT (0.64) MAPTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10310316 0.71 MAPT (0.66) MAPTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10133314 0.71 MAPT (0.62) MAPTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL400328 0.70 TRPA1 (0.57) MAPTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4007180 0.70 TRPA1 (0.57) MAPTHTR1ASLC6A2SLC6A4SLC6A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
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
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 MAPT 3293/4885HTR1A 99/4885SLC6A2 275/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4441/4885HTR1A 166/4885SLC6A2 509/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAPT 3442/4885HTR1A 74/4885SLC6A2 256/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4321/4885HTR1A 146/4885SLC6A2 477/4885

“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.