SCHEMBL11934779

SCHEMBL11934779

Cc1csc(NCC2CCC(N)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 3/20 0.47
▸ CDK9 P50750 3/20 0.47
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ SCD O00767 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ GAA P10253 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 2/20 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
SCHEMBL13438663 1.00 CCNK (0.47) CCNKCDK9RAB9ANPC1SCD
SCHEMBL13026587 0.92 RAB9A (0.50) CCNKCDK9RAB9ANPC1SCD
SCHEMBL13493645 0.84 RAB9A (0.54) CCNKCDK9RAB9ANPC1SCD
SCHEMBL5131839 0.76 CCNK (0.50) CCNKCDK9RAB9ANPC1ALDH1A1
SCHEMBL13462589 0.76 CCNK (0.43) CCNKCDK9CYP3A4SCN5ASCN9A
SCHEMBL27728238 0.75 CCNK (0.52) CCNKCDK9
SCHEMBL11934883 0.75 ALDH1A1 (0.48) CCNKCDK9RAB9ANPC1ALDH1A1
SCHEMBL13564740 0.75 NPC1 (0.42) CCNKCDK9RAB9ANPC1SCD
SCHEMBL17089947 0.75 NPC1 (0.42) CCNKCDK9RAB9ANPC1SCD
SCHEMBL13438757 0.75 ALDH1A1 (0.48) CCNKCDK9RAB9ANPC1ALDH1A1

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 CCNK 4014/4885CDK9 3415/4885RAB9A 2628/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CCNK 4597/4885CDK9 4327/4885RAB9A 3084/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CCNK 2980/4885CDK9 2781/4885RAB9A 1980/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CCNK 4603/4885CDK9 4212/4885RAB9A 2804/4885

“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.

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