SCHEMBL5519016

SCHEMBL5519016

c1ccc([PH](CC2CC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.34
SIGMAR1 Q99720 1/20 0.32
CCR3 P51677 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
Bromide SCHEMBL28426746 0.98 GBA1 (0.33) GBA1SIGMAR1
SCHEMBL10037070 0.91 EPHX2 (0.37) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL15593375 0.90 ACHE (0.38) SIGMAR1
SCHEMBL14416818 0.90 GAA (0.34) GBA1SIGMAR1OPRM1
SCHEMBL13331319 0.90 GBA1 (0.30) GBA1
SCHEMBL18769201 0.90 MAOB (0.41)
SCHEMBL24310936 0.89 EPHX2 (0.40) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL22893117 0.89 EPHX2 (0.40) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL22906294 0.89 EPHX2 (0.40) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL22893113 0.89 EPHX2 (0.40) SIGMAR1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 US disclosed
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 US disclosed
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 US disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
EP-3397638-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-08-23 EP disclosed
EP-3397638-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-08-23 EP disclosed
CN-108699052-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2022-03-31 US disclosed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 US disclosed
EP-0718712-B1 Quaternary phosphonium trihalocuprate salts as charge-control agents for toners and developers EASTMAN KODAK CO (US) 1999-03-10 EP disclosed
EP-0718707-B1 Quaternary phosphonium trihalozincate salts as charge-control agents for toners and developers EASTMAN KODAK CO (US) 1998-03-04 EP disclosed
US-5561020-A THERMALLY STABLE, UNIFORMLY DISPERSIBLE EASTMAN KODAK COMPANY (US) 1996-10-01 US disclosed
US-5547803-A Quaternary phosphonium trihalocuprate salts as charge-control agents for toners and developers EASTMAN KODAK COMPANY (US) 1996-08-20 US disclosed
EP-0718712-A1 Quaternary phosphonium trihalocuprate salts as charge-control agents for toners and developers EASTMAN KODAK COMPANY (US) 1996-06-26 EP disclosed
EP-0718707-A1 Quaternary phosphonium trihalozincate salts as charge-control agents for toners and developers EASTMAN KODAK COMPANY (US) 1996-06-26 EP 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 (4 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-12018048-B2 Anthelmintic depsipeptide compounds VIP, DNPEP, DPEP1 GBA1 3839/4885SIGMAR1 4646/4885CCR3 3485/4885
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN GBA1 564/4885SIGMAR1 2829/4885CCR3 4016/4885
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP GBA1 4051/4885SIGMAR1 4753/4885CCR3 2052/4885
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GBA1 827/4885SIGMAR1 2119/4885CCR3 3503/4885

“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.