SCHEMBL6750686

SCHEMBL6750686

CCCC1CCN(CCOC)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
GNAO1 P09471 1/20 0.42
KDM1A O60341 1/20 0.38
DRD2 P14416 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ACHE P22303 1/20 0.37
HTR4 Q13639 1/20 0.37
HRH1 P35367 1/20 0.36
HSD11B1 P28845 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL20154540 0.89 HRH3 (0.52) HRH3GNAO1KDM1ADRD2CHRM2
SCHEMBL23205040 0.88 KDM1A (0.40) HRH3GNAO1KDM1AHSD11B1
SCHEMBL20231540 0.85 DRD2 (0.42) HRH3GNAO1DRD2HTR4
SCHEMBL12083 0.84 KDM1A (0.40) HRH3KDM1ADRD2HRH1HSD11B1
SCHEMBL4378930 0.83 HSD11B1 (0.39) HRH3GNAO1KDM1ADRD2DRD3
SCHEMBL27357785 0.83 HRH3 (0.55) HRH3GNAO1DRD2CHRM2CHRM4
SCHEMBL4376649 0.83 HSD11B1 (0.39) HRH3GNAO1KDM1ADRD2DRD3
SCHEMBL4376655 0.83 ACHE (0.44) HRH3KDM1AACHEHSD11B1
SCHEMBL7741719 0.81 GNAO1 (0.49) HRH3GNAO1DRD2CHRM2CHRM4
SCHEMBL12449623 0.81 KDM1A (0.38) KDM1AHRH1HSD11B1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 US claimed
WO-2024050742-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KRAS G12D VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
EP-3753939-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma Inc. (US) 2020-12-23 EP disclosed
EP-3523301-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-05-27 EP disclosed
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed
WO-2018071447-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 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 (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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HRH3 3424/4885GNAO1 3444/4885KDM1A 1258/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 HRH3 1563/4885GNAO1 2915/4885KDM1A 304/4885
US-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 HRH3 554/4885GNAO1 1577/4885KDM1A 1030/4885

“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.