SCHEMBL11936171

SCHEMBL11936171

CCS(=O)(=O)N[C@H]1CC[C@H](CNc2ccc3c(c2)oc(=O)n3C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 8/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GLA P06280 1/20 0.41

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
SCHEMBL11936168 0.89 TP53 (0.42) ALDH1A1LMNAHPGDTSHRL3MBTL1
SCHEMBL11936170 0.88 ALDH1A1 (0.47) ALDH1A1LMNAHPGDTSHRL3MBTL1
SCHEMBL11936159 0.88 ALDH1A1 (0.51) ALDH1A1LMNAHPGDTSHRL3MBTL1
SCHEMBL11936165 0.88 ALDH1A1 (0.51) ALDH1A1LMNAHPGDTSHRL3MBTL1
SCHEMBL11936169 0.87 ALDH1A1 (0.39) ALDH1A1LMNAHPGDTSHRL3MBTL1
SCHEMBL11936166 0.85 TP53 (0.41) ALDH1A1LMNAHPGDTSHRTP53
SCHEMBL11936167 0.85 P2RX3 (0.41) ALDH1A1LMNAHPGDTSHRL3MBTL1
SCHEMBL11936281 0.79 ALDH1A1 (0.43) ALDH1A1LMNAHPGDTSHRL3MBTL1
SCHEMBL11936162 0.78 NPY5R (0.46) ALDH1A1LMNAHPGDTSHRL3MBTL1
SCHEMBL11936156 0.78 TP53 (0.40) ALDH1A1LMNAHPGDTSHRL3MBTL1

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 16 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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 — — US disclosed
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 — — US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 — — US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 — — 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-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-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-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-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 ALDH1A1 3842/4885LMNA 3149/4885HPGD 2703/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885LMNA 3003/4885HPGD 3214/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4013/4885LMNA 3841/4885HPGD 2459/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3361/4885LMNA 3184/4885HPGD 2952/4885

“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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