SCHEMBL11934834

SCHEMBL11934834

NC1CCC(CNc2cc(-c3ccco3)[nH]n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
MAPT P10636 6/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
PAK4 O96013 2/20 0.43
PAK1 Q13153 2/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RET P07949 3/20 0.39
IGF1R P08069 2/20 0.39
VCP P55072 1/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MERTK Q12866 1/20 0.36
LCK P06239 1/20 0.36
ITK Q08881 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL13438705 1.00 PDPK1 (0.47) PDPK1MAPTPOLBLMNAPAK4
SCHEMBL13564753 0.79 MAPT (0.42) PDPK1MAPTPOLBLMNAMEN1
SCHEMBL17090079 0.79 MAPT (0.42) PDPK1MAPTPOLBLMNAMEN1
SCHEMBL13565942 0.79 MAPT (0.42) PDPK1MAPTPOLBLMNAMEN1
SCHEMBL13312248 0.78 PDPK1 (0.57) PDPK1MAPTPOLBLMNAMEN1
SCHEMBL11935516 0.72 VCP (0.43) POLBVCPHPGDALDH1A1MERTK
SCHEMBL13439267 0.72 VCP (0.43) POLBVCPHPGDALDH1A1MERTK
SCHEMBL11934969 0.72 PDPK1 (0.50) PDPK1MAPTPOLBMEN1KMT2A
SCHEMBL9564361 0.71 RAB9A (0.49) MAPTLMNAMEN1KMT2AVCP
SCHEMBL12038438 0.70 PDPK1 (0.58) PDPK1MAPTPOLBLMNAMEN1

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 PDPK1 3978/4885MAPT 3293/4885POLB 4519/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PDPK1 3409/4885MAPT 4441/4885POLB 3970/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PDPK1 3132/4885MAPT 3442/4885POLB 4104/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PDPK1 3226/4885MAPT 4321/4885POLB 4070/4885

“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.