SCHEMBL20824836

SCHEMBL20824836

O=C(O)N[C@@H]1CCCCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ SLC6A1 P30531 2/20 0.44
▸ SLC6A11 P48066 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SLC6A13 Q9NSD5 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ PBK Q96KB5 2/20 0.39
▸ CPN1 P15169 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.39

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
SCHEMBL5555738 1.00 EPHX1 (0.46) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
SCHEMBL1469604 1.00 EPHX1 (0.46) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
SCHEMBL475548 0.94 SLC6A1 (0.50) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
SCHEMBL1968950 0.94 SLC6A1 (0.50) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
SCHEMBL148965 0.94 SLC6A1 (0.50) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
Hydrochloric Acid SCHEMBL17560394 0.92 SLC6A1 (0.48) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR
SCHEMBL184265 0.85 — —
SCHEMBL1749149 0.85 — —
SCHEMBL512691 0.85 — —
Hydrochloric Acid SCHEMBL23778361 0.83 EPHX1 (0.50) EPHX1SMN1; SMN2SLC6A1SLC6A11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302418-A Aromatic heterocyclic compound and application thereof 中国科学院上海药物研究所 2024-07-05 — — CN disclosed
CN-113840820-B Phthalazinone compounds and uses thereof ST制药株式会社 2024-05-03 — — CN disclosed
CN-116102533-A Aromatic heterocyclic compound and application thereof 中国科学院上海药物研究所 2023-05-12 — — CN disclosed
CN-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 — — CN disclosed
US-11254676-B2 Pyrazole derivative compound and use thereof HANMI PHARM. CO., LTD. (KR) 2022-02-22 — — US disclosed
CN-113840820-A Phthalazinone compounds and uses thereof ST制药株式会社 2021-12-24 — — CN disclosed
EP-3907225-A1 IMIDAZOPYRIDINE DERIVATIVE COMPOUNDS AND USE OF SAME Hanmi Pharm. Co., Ltd. (KR) 2021-11-10 — — EP disclosed
CN-113365996-A Imidazopyridine derivative compounds and uses thereof 韩美药品株式会社 2021-09-07 — — CN disclosed
US-20210009591-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF HANMI PHARM. CO., LTD. (KR) 2021-01-14 — — US disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 — — EP disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 — — US disclosed
WO-2020242245-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF 에스티팜 주식회사 2020-12-03 — — WO disclosed
WO-2020159285-A1 IMIDAZOPYRIDINE DERIVATIVE COMPOUNDS AND USE OF SAME 한미약품 주식회사 2020-08-06 — — WO disclosed
EP-3681877-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF Hanmi Pharm. Co., Ltd. (KR) 2020-07-22 — — EP disclosed
CN-111094265-A Pyrazole derivative compound and use thereof 韩美药品株式会社 2020-05-01 — — CN disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 — — WO disclosed
WO-2019054766-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF HANMI PHARM. CO., LTD. (KR) 2019-03-21 — — 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 (3 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-20210009591-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF KDM1A, KDM3A, KDM1B EPHX1 2528/4885SMN1; SMN2 1145/4885SLC6A1 1585/4885
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF PADI4, PADI2, PADI1 EPHX1 2840/4885SMN1; SMN2 3915/4885SLC6A1 4010/4885
US-11254676-B2 Pyrazole derivative compound and use thereof KDM1A, KDM3A, KDM1B EPHX1 2528/4885SMN1; SMN2 1145/4885SLC6A1 1585/4885

“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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