SCHEMBL11935018

SCHEMBL11935018

COC(=O)Cc1csc(NCCCCCN)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 1/20 0.40

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
SCHEMBL13565512 0.81 NPY5R (0.55) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL17089977 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL9274770 0.80 GABRA5 (0.51) ALDH1A1RAB9APOLBNPC1MAPT
SCHEMBL13105682 0.79 NPC1 (0.43) ALDH1A1RAB9ANPC1MAPT
SCHEMBL6878797 0.76 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL11498389 0.75 PDE5A (0.50) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL4968797 0.74 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL11934938 0.73 RAB9A (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL21076793 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL20392523 0.73 RAB9A (0.59) ALDH1A1SMN1; SMN2RAB9APOLBNPC1

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-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 ALDH1A1 3842/4885SMN1; SMN2 1734/4885RAB9A 2628/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885SMN1; SMN2 2304/4885RAB9A 3084/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4013/4885SMN1; SMN2 1782/4885RAB9A 1980/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3361/4885SMN1; SMN2 2393/4885RAB9A 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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