SCHEMBL11936093

SCHEMBL11936093

Nc1ccc(CNc2cccc3c2CCCC3)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
HTT P42858 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
RXRA P19793 1/20 0.64
RXRB P28702 1/20 0.64
RXRG P48443 1/20 0.64
HDAC6 Q9UBN7 2/20 0.63
DHFR P00374 1/20 0.47
EGFR P00533 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.43
SIGMAR1 Q99720 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
MEN1 O00255 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
SCHEMBL7344686 0.87 SMN1; SMN2 (0.75) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL13447402 0.84 RXRA (0.72) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL11935952 0.78 NPC1 (0.47) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL11935957 0.78 HTT (0.45) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL3478127 0.78 EGFR (0.53) SMN1; SMN2HTTNPSR1EGFRALDH1A1
SCHEMBL11935948 0.76 HTT (0.42) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL11940789 0.76 SMN1; SMN2 (0.59) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL8166642 0.75 HTT (0.58) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL13565505 0.74 SMN1; SMN2 (0.56) SMN1; SMN2HTTNPSR1RXRARXRB
SCHEMBL11935308 0.74 HTT (0.56) SMN1; SMN2HTTNPSR1RXRARXRB

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 7 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-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 (3 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 SMN1; SMN2 1734/4885HTT 1625/4885NPSR1 11/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R SMN1; SMN2 2304/4885HTT 1879/4885NPSR1 18/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R SMN1; SMN2 2393/4885HTT 1507/4885NPSR1 22/4885

“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.