Sugi Predict

Sugi Predict / Compounds / SCHEMBL3049424

SCHEMBL3049424

SCHEMBL3049424

COC(=O)C1(c2ccc(Br)cc2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ HDAC4 P56524 3/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CHRM2 P08172 2/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ APOBEC3A P31941 2/20 0.41
▸ APOBEC3G Q9HC16 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL3054538 0.98 HDAC1 (0.50) HDAC1ALDH1A1HDAC4HRH3CHRM3
SCHEMBL3052103 0.95 HDAC1 (0.47) HDAC1ALDH1A1HDAC4HRH3CHRM3
SCHEMBL349353 0.91 HDAC1 (0.42) HDAC1ALDH1A1HDAC4HRH3LMNA
SCHEMBL14712079 0.90 HRH3 (0.49) HDAC1ALDH1A1HDAC4HRH3CHRM3
SCHEMBL14712065 0.87 HRH3 (0.45) HDAC1ALDH1A1HRH3MAPT
SCHEMBL3485510 0.85 MAPT (0.53) ALDH1A1HDAC4HRH3CHRM3LMNA
SCHEMBL15348097 0.84 PDE4A (0.39) HDAC1ALDH1A1HRH3OPRM1
SCHEMBL10112796 0.84 OPRM1 (0.51) HDAC1OPRM1
SCHEMBL1121038 0.84 HDAC1 (0.53) HDAC1ALDH1A1LMNAMAPT
SCHEMBL5639097 0.83 HDAC4 (0.61) ALDH1A1HDAC4LMNACHRM2CHRM1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-10-12 — — US disclosed
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-10-12 — — US disclosed
CN-109111451-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2020-08-11 — — CN disclosed
US-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE NORTH & SOUTH BROTHER PHARMACY INVESTMENT COMPANY LIMITED (CN) 2020-04-16 — — US disclosed
US-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE NORTH & SOUTH BROTHER PHARMACY INVESTMENT COMPANY LIMITED (CN) 2020-04-16 — — US disclosed
WO-2019001396-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-03 — — WO disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 — — US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 — — US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 — — WO disclosed
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 — — EP disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 — — US disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 — — US disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 — — US disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 — — WO disclosed
WO-2010086820-A1 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PFIZER INC. (US) 2010-08-05 — — WO disclosed
WO-2010086820-A1 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PFIZER INC. (US) 2010-08-05 — — WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 — — US disclosed
WO-2010071335-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2010-06-24 — — 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 (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-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 HDAC1 393/4885ALDH1A1 158/4885HDAC4 845/4885
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR HDAC1 3043/4885ALDH1A1 61/4885HDAC4 3293/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 HDAC1 2445/4885ALDH1A1 4135/4885HDAC4 2670/4885
US-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE DPYD, SLC10A1, DHODH HDAC1 2366/4885ALDH1A1 798/4885HDAC4 1955/4885
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine DPYD, SLC10A1, DHODH HDAC1 2366/4885ALDH1A1 798/4885HDAC4 1955/4885

“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.