SCHEMBL6950227

SCHEMBL6950227

OC[C@H](O)CCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.52
KDM4E B2RXH2 1/20 0.50
CYP2A6 P11509 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TBXAS1 P24557 7/20 0.46
HRH1 P35367 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL7831473 1.00 CHRNA7 (0.52) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL6950222 1.00 CHRNA7 (0.52) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL5016747 0.91 CHRNA7 (0.57) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL8477435 0.88 CHRNA7 (0.50) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL10034621 0.84 TDP1 (0.54) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL6950753 0.84 TDP1 (0.54) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL6946868 0.84 CHRNA7 (0.50) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL23655466 0.83 CHRNA7 (0.57) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL6014385 0.83 TDP1 (0.53) CHRNA7KDM4ECYP2A6TDP1L3MBTL1
SCHEMBL6014381 0.83 CHRNA7 (0.62) CHRNA7KDM4ECYP2A6TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074544-A1 Process for production of 3-(3-pyridyl)-1-propanol derivatives KANEKA CORPORATION (JP) 2001-02-07 EP claimed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US claimed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
EP-1074544-B1 Process for production of 3-(3-pyridyl)-1-propanol derivatives KANEKA CORP (JP) 2003-08-27 EP disclosed
US-6388086-B1 REACTING W 3-METHYLPYRIDINE WITH BASE; THEN EPOXY COMPOUND KANEKA CORPORATION (JP) 2002-05-14 US disclosed
US-6265409-B1 ANTIINFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-1115401-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP disclosed
EP-1115705-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP disclosed
EP-1115706-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP disclosed
EP-0984961-B1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
WO-2000018736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
WO-2000018730-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
WO-2000018731-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
EP-0984961-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-03-15 EP disclosed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
WO-1998043971-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-08 WO disclosed
WO-1998042669-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 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 (1 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-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP CHRNA7 4874/4885KDM4E 858/4885CYP2A6 2737/4885

“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.