Sugi Predict

Sugi Predict / Compounds / SCHEMBL8240649

SCHEMBL8240649

SCHEMBL8240649

CON(C)C(=O)CCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ APP P05067 1/20 0.41
▸ TEAD3 Q99594 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ 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
SCHEMBL3523678 0.94 L3MBTL1 (0.48) L3MBTL1ALOX5TDP1EPHX2
SCHEMBL18936422 0.91 NPC1 (0.44) L3MBTL1ALOX5NPC1LMNATSHR
SCHEMBL23014745 0.86 ALOX5 (0.54) L3MBTL1ALOX5NPC1TDP1RAB9A
SCHEMBL17117493 0.82 NPC1 (0.66) L3MBTL1NPC1LMNAALOX15TSHR
SCHEMBL4234185 0.81 NPC1 (0.47) ALOX5NPC1TSHRMAPK1RAB9A
SCHEMBL829335 0.81 ALOX5 (0.61) ALOX5NPC1ALOX15MAPK1TDP1
SCHEMBL3523031 0.81 EPHX2 (0.43) L3MBTL1ALOX5NPC1LMNAALOX15
SCHEMBL21565376 0.81 L3MBTL1 (0.51) L3MBTL1ALOX5NPC1TDP1EPHX2
SCHEMBL1667586 0.80 ALOX5 (0.69) ALOX5MAPK1
SCHEMBL17117246 0.80 LTB4R (0.55) L3MBTL1ALOX5NPC1RAB9A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 — — US disclosed
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 — — CN disclosed
EP-3383493-B1 CARBOCYCLIC FUSED IMINOTHIADIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-02-17 — — EP disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 — — US disclosed
US-10329291-B2 C5-C6-carbocyclic fused iminothiadiazine dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. 2019-06-25 — — US disclosed
WO-2019112024-A1 PYRROLIDINE COMPOUND キッセイ薬品工業株式会社 2019-06-13 — — WO disclosed
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 — — EP disclosed
WO-2017095759-A1 C5-C6-CARBOCYCLIC FUSED IMINOTHIADIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-06-08 — — WO disclosed
US-8536174-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 — — US disclosed
US-8536174-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 — — US disclosed
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 — — US disclosed
US-8193191-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 — — US disclosed
US-8193191-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 — — US disclosed
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E 2011-06-09 — — US disclosed
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E 2011-06-09 — — US disclosed
US-7915260-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-29 — — US disclosed
US-7915260-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-29 — — US disclosed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 — — US disclosed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 — — US disclosed
WO-2007081995-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 — — WO 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 (6 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-20200299273-A1 PYRROLIDINE DERIVATIVE CALCRL, NPY1R, GRPR L3MBTL1 3961/4885ALOX5 2554/4885NPC1 944/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR L3MBTL1 3961/4885ALOX5 2554/4885NPC1 944/4885
US-10329291-B2 C5-C6-carbocyclic fused iminothiadiazine dioxides as BACE inhibitors, compositions, and their use BACE1, BACE2, APP L3MBTL1 1524/4885ALOX5 1061/4885NPC1 554/4885
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 L3MBTL1 4195/4885ALOX5 1023/4885NPC1 1750/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 L3MBTL1 4195/4885ALOX5 1023/4885NPC1 1750/4885
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 L3MBTL1 4195/4885ALOX5 1023/4885NPC1 1750/4885

“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.