SCHEMBL11934883

SCHEMBL11934883

COC(=O)Cc1csc(NCC2CCC(N)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 2/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ LMNA P02545 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
SCHEMBL13438757 1.00 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL17090351 0.81 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL13462589 0.78 CCNK (0.43) CCNKCDK9
SCHEMBL13438663 0.75 CCNK (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11934779 0.75 CCNK (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL6878797 0.73 ALDH1A1 (0.62) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL11935018 0.72 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL21044575 0.72 CTPS1 (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL4968797 0.71 SMN1; SMN2 (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL21077072 0.71 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1TP53

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 6 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-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 (2 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 3842/4885RAB9A 2628/4885SMN1; SMN2 1734/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3361/4885RAB9A 2804/4885SMN1; SMN2 2393/4885

“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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