SCHEMBL3020121

SCHEMBL3020121

CCCCOC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
GNAO1 P09471 11/20 0.40
GNAI3 P08754 10/20 0.40
GNAI1 P63096 10/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
GBA1 P04062 1/20 0.36
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR4 Q13639 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL4239877 0.94 GNAO1 (0.43) CHRM1GNAO1GNAI3GNAI1GBA1
SCHEMBL20487794 0.92 GNAO1 (0.46) CHRM1GNAO1GNAI3GNAI1GBA1
SCHEMBL9741247 0.92 GNAO1 (0.46) CHRM1GNAO1GNAI3GNAI1GBA1
Hydrochloric Acid SCHEMBL27157910 0.92 GNAO1 (0.46) CHRM1GNAO1GNAI3GNAI1GBA1
SCHEMBL2632683 0.88 CHRM1 (0.51) CHRM1GNAO1GNAI3GNAI1SMN1; SMN2
SCHEMBL2632445 0.88 CHRM1 (0.51) CHRM1GNAO1GNAI3GNAI1SMN1; SMN2
SCHEMBL10049922 0.88 CHRM1 (0.51) CHRM1GNAO1GNAI3GNAI1SMN1; SMN2
SCHEMBL2149346 0.86 SLC6A2 (0.36) CHRM1GNAO1GNAI3GNAI1SLC6A2
Hydrochloric Acid SCHEMBL1223342 0.84 GNAO1 (0.37) CHRM1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL5986706 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 US disclosed
WO-2024054602-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 WO disclosed
WO-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 US disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 WO disclosed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP disclosed
WO-2000050396-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-31 WO disclosed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 WO disclosed
EP-0804252-A2 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1997-11-05 EP disclosed
CN-1158090-A Metal chelating agent containing monoamine, hydrazine and thiol DIATECH INC (US) 1997-08-27 CN disclosed
EP-0772459-A1 TECHNETIUM-99m LABELED IMAGING AGENTS DIATECH, INC. (US) 1997-05-14 EP disclosed
WO-1995033497-A1 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1995-12-14 WO disclosed
WO-1995029708-A1 TECHNETIUM-99m LABELED IMAGING AGENTS DIATECH, INC. (US) 1995-11-09 WO disclosed
EP-0225886-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM. CHEMIE LINZ AG (AT) 1987-06-24 EP disclosed
WO-1986006719-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-11-20 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 (2 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA CHRM1 4237/4885GNAO1 2751/4885GNAI3 2570/4885
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 CHRM1 4128/4885GNAO1 66/4885GNAI3 119/4885

“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.