SCHEMBL2016258

SCHEMBL2016258

OCC[C@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
SIGMAR1 Q99720 3/20 0.50
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
GBA1 P04062 1/20 0.44
FUCA1 P04066 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2016261 1.00 LTA4H (0.57) LTA4HSIGMAR1ALDH1A1LMNAPOLB
SCHEMBL2019556 1.00 LTA4H (0.57) LTA4HSIGMAR1ALDH1A1LMNAPOLB
SCHEMBL16439718 0.92 LTA4H (0.55) LTA4HSIGMAR1ALDH1A1LMNAGBA1
SCHEMBL19878947 0.92 ALDH1A1 (0.51) LTA4HSIGMAR1ALDH1A1LMNAPOLB
SCHEMBL14033540 0.92 LTA4H (0.55) LTA4HSIGMAR1ALDH1A1LMNAGBA1
SCHEMBL19878948 0.92 ALDH1A1 (0.51) LTA4HSIGMAR1ALDH1A1LMNAPOLB
SCHEMBL2062715 0.88 LTA4H (0.60) LTA4HSIGMAR1ALDH1A1GBA1FUCA1
SCHEMBL28142979 0.88 LTA4H (0.60) LTA4HSIGMAR1ALDH1A1GBA1FUCA1
SCHEMBL692066 0.88 LTA4H (0.60) LTA4HSIGMAR1ALDH1A1GBA1FUCA1
SCHEMBL3495379 0.87 LTA4H (0.59) LTA4HSIGMAR1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2024-05-23 US disclosed
CN-117820333-A KRAS G12C inhibitors 伊莱利利公司 2024-04-05 CN disclosed
WO-2024067818-A1 CHIMERIC COMPOUND USED FOR TARGETED DEGRADATION OF BCL-2 PROTEIN, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2024-04-04 WO disclosed
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 EP disclosed
CN-114828964-B KRAS G12C inhibitors 伊莱利利公司 2023-11-24 CN disclosed
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
CN-116724044-A Tri-heterocyclic compound, preparation method and application thereof 上海湃隆生物科技有限公司 2023-09-08 CN disclosed
US-11731984-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2023-08-22 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN (US) 2005-08-18 US disclosed
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION 2005-03-24 US disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
US-20040242575-A1 N-aroyl piperazine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2004-12-02 US disclosed
EP-1434583-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-07-07 EP disclosed
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 WO disclosed
WO-2003032991-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 WO disclosed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 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 (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-20040242575-A1 N-aroyl piperazine derivatives as orexin receptor antagonists HCRTR2, HCRTR1, CNR1 LTA4H 1884/4885SIGMAR1 54/4885ALDH1A1 883/4885
US-20230339968-A1 KRAS Gl2C INHIBITORS KRAS, NRAS, GLS2 LTA4H 3006/4885SIGMAR1 2828/4885ALDH1A1 1144/4885
US-11731984-B2 KRas G12C inhibitors KRAS, NRAS, HRAS LTA4H 4116/4885SIGMAR1 4512/4885ALDH1A1 2427/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R LTA4H 2242/4885SIGMAR1 145/4885ALDH1A1 1263/4885
US-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, WEE1, WEE2 LTA4H 1769/4885SIGMAR1 4743/4885ALDH1A1 1500/4885
US-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 LTA4H 3505/4885SIGMAR1 61/4885ALDH1A1 2465/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R LTA4H 2242/4885SIGMAR1 145/4885ALDH1A1 1263/4885

“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.