Sugi Predict

Sugi Predict / Compounds / SCHEMBL3629080

SCHEMBL3629080

SCHEMBL3629080

O=C1CCc2c(OCc3ccccc3)cccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.62
▸ HTT P42858 2/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NCOA3 Q9Y6Q9 1/20 0.55
▸ POLB P06746 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ ABCB1 P08183 2/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CRBN Q96SW2 1/20 0.48
▸ IKZF3 Q9UKT9 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PTGER1 P34995 2/20 0.47
▸ MAOA P21397 2/20 0.46

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
SCHEMBL5101144 0.91 MRGPRX4 (0.74) MRGPRX4HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL31318410 0.91 MRGPRX4 (0.74) MRGPRX4HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL28350008 0.88 POLB (0.64) MRGPRX4HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL30112286 0.87 HTT (0.56) MRGPRX4HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL28346699 0.87 MEN1 (0.64) MRGPRX4HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL28350032 0.85 MRGPRX4 (0.50) MRGPRX4HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL16231693 0.84 MRGPRX4 (0.54) MRGPRX4HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL28350077 0.84 MRGPRX4 (0.59) MRGPRX4HTTSMN1; SMN2ABCB1ALDH1A1
SCHEMBL28347034 0.84 MRGPRX4 (0.59) MRGPRX4HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL28349971 0.84 MRGPRX4 (0.59) MRGPRX4HTTL3MBTL1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409658-B9 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2024-07-17 — — EP disclosed
EP-3409658-B1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2024-03-06 — — EP disclosed
US-20220009906-A1 ISOINDOLIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-01-13 — — US disclosed
US-10730830-B2 Tetrahydronaphthalene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2020-08-04 — — US disclosed
CN-107056630-B Indane derivative, and synthesis method and medical application thereof 合肥工业大学 2020-01-17 — — CN disclosed
US-20190031605-A1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2019-01-31 — — US disclosed
EP-3409658-A1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2018-12-05 — — EP disclosed
CN-107056630-A A kind of indane analog derivative and its synthetic method and in purposes pharmaceutically 合肥工业大学 2017-08-18 — — CN disclosed
WO-2015089842-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OSTEOPOROSIS MERCK SHARP & DOHME CORP. (US) 2015-06-25 — — WO disclosed
WO-2015095261-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 — — WO disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 — — US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 — — US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 — — US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 — — US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 — — EP disclosed
EP-0080117-B1 THE (R,R)-ENANTIOMER OF TRANS-INDENO(1,2-B)-1,4-OXAZINES, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL FORMULATION CONTAINING IT MERCK & CO. INC. (US) 1987-12-02 — — EP disclosed
US-4431647-A PARKINSON'S DISEASE MERCK & CO., INC. (US) 1984-02-14 — — 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 (5 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-10730830-B2 Tetrahydronaphthalene derivative S1PR5, S1PR1, GPR55 MRGPRX4 616/4885HTT 951/4885L3MBTL1 2994/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 MRGPRX4 90/4885HTT 2731/4885L3MBTL1 3607/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MRGPRX4 112/4885HTT 1725/4885L3MBTL1 3372/4885
US-20220009906-A1 ISOINDOLIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS GRK2, GRK3, GRK4 MRGPRX4 2987/4885HTT 2768/4885L3MBTL1 3378/4885
US-20190031605-A1 TETRAHYDRONAPHTHALENE DERIVATIVE S1PR5, S1PR1, GPR55 MRGPRX4 760/4885HTT 814/4885L3MBTL1 2891/4885

“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.