Sugi Predict

Sugi Predict / Compounds / SCHEMBL598403

SCHEMBL598403

SCHEMBL598403

C[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CES2 O00748 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ CTSD P07339 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NAAA Q02083 1/20 0.36
▸ CYP26A1 O43174 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ABCC4 O15439 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL1908538 1.00 GRM2 (0.40) GRM2CYP3A4CYP2D6MAPTCYP2C19
SCHEMBL598381 1.00 GRM2 (0.40) GRM2CYP3A4CYP2D6MAPTCYP2C19
SCHEMBL20072321 1.00 GRM2 (0.40) GRM2CYP3A4CYP2D6MAPTCYP2C19
SCHEMBL28412417 1.00 GRM2 (0.40) GRM2CYP3A4CYP2D6MAPTCYP2C19
SCHEMBL4440151 1.00 GRM2 (0.40) GRM2CYP3A4CYP2D6MAPTCYP2C19
SCHEMBL29074198 1.00 GRM2 (0.40) GRM2CYP3A4CYP2D6MAPTCYP2C19
SCHEMBL23477961 0.91 CYP3A4 (0.44) CYP3A4CYP2D6MAPTCYP2C19CTSD
SCHEMBL22559996 0.91 CYP3A4 (0.44) CYP3A4CYP2D6MAPTCYP2C19CTSD
SCHEMBL22295471 0.82 CYP26A1 (0.39) CES2FAAHDAOTSHRNAAA
SCHEMBL22295470 0.82 GRM2 (0.37) GRM2CES2TSHRSMN1; SMN2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN claimed
CN-110845349-B Purification method of Sacubitril valsartan sodium intermediate 株洲千金药业股份有限公司 2020-11-24 — — CN claimed
CN-111265518-A Composition containing a mixture of biphenyl derivatives and uses thereof 黄泳华 2020-06-12 — — CN claimed
CN-110845349-A Purification method of Sacubitril valsartan sodium intermediate 株洲千金药业股份有限公司 2020-02-28 — — CN claimed
CN-110818581-A Post-treatment method of Sacubitril valsartan sodium intermediate 株洲千金药业股份有限公司 2020-02-21 — — CN claimed
CN-115677521-B Preparation method of high-purity Sha Kuba koji calcium 迪嘉药业集团股份有限公司 2024-02-02 — — CN disclosed
CN-115677521-A Preparation method of high-purity Shakuba kojie calcium 迪嘉药业集团股份有限公司 2023-02-03 — — CN disclosed
US-11370739-B2 Sacubitril intermediate and preparation method thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-06-28 — — US disclosed
US-11370739-B2 Sacubitril intermediate and preparation method thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-06-28 — — US disclosed
EP-3424899-B1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2022-05-11 — — EP disclosed
EP-3424899-B1 SACUBITRIL INTERMEDIATE AND PREPARATION METHOD THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2022-05-11 — — EP disclosed
US-11318116-B2 Stable amorphous form of sacubitril valsartan trisodium complex and processes for preparation thereof LAURUS LABS LIMITED (IN) 2022-05-03 — — US disclosed
US-20140249320-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-20140243546-A1 Processes NOVARTIS AG (CH) 2014-08-28 — — US disclosed
US-8716495-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2014-05-06 — — US disclosed
US-8580974-B2 Processes NOVARTIS AG (CH) 2013-11-12 — — US disclosed
US-20120142916-A1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2012-06-07 — — US disclosed
US-8115016-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2012-02-14 — — US disclosed
US-20110046397-A1 NEW PROCESSES NOVARTIS PHARMACEUTICALS CORPORATION 2011-02-24 — — US disclosed
US-20100113801-A1 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS PHARMACEUTICALS CORPORATION 2010-05-06 — — 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 (7 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-20110046397-A1 NEW PROCESSES MME, REN, AGTR1 GRM2 2361/4885CYP3A4 550/4885CYP2D6 421/4885
US-11318116-B2 Stable amorphous form of sacubitril valsartan trisodium complex and processes for preparation thereof AGT, ACE, REN GRM2 3808/4885CYP3A4 253/4885CYP2D6 165/4885
US-20100113801-A1 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid MME, REN, PAH GRM2 1541/4885CYP3A4 256/4885CYP2D6 270/4885
US-20120142916-A1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID MME, REN, PAH GRM2 1541/4885CYP3A4 256/4885CYP2D6 270/4885
US-20140249320-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid MME, REN, PAH GRM2 1541/4885CYP3A4 256/4885CYP2D6 270/4885
US-11370739-B2 Sacubitril intermediate and preparation method thereof DPP4, ACE, DPP8 GRM2 4460/4885CYP3A4 200/4885CYP2D6 244/4885
US-20140243546-A1 Processes MME, NAT1, AGTR1 GRM2 2273/4885CYP3A4 528/4885CYP2D6 326/4885

“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.