Pyridine

Pyridine

SCHEMBL904458

CC(=O)OC1CCC(COC(=O)N2CCCC2)CC1.c1ccncc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.37
GRIN2B Q13224 4/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP19A1 P11511 2/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
CYP3A4 P08684 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CNR2 P34972 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL904431 0.79 CYP19A1 (0.43) GRIN2BCYP2D6CYP2C9CYP19A1GPR119
SCHEMBL904644 0.79 MAPT (0.50) GRIN2BCYP2D6CYP2C9CYP19A1CYP3A4
SCHEMBL904540 0.78 PTGIR (0.48) GRIN2BCYP2D6CYP2C9CYP3A4CHRM4
SCHEMBL904511 0.77 ALDH1A1 (0.46) GRIN2BCYP2D6CYP2C9CYP3A4GAA
SCHEMBL904629 0.77 CYP19A1 (0.40) NOS2GRIN2BCYP2D6CYP2C9CYP19A1
SCHEMBL904400 0.77 NOS2 (0.46) NOS2GRIN2BCHRM2CHRM4ALDH1A1
SCHEMBL904583 0.77 CYP19A1 (0.38) GRIN2BCYP2D6CYP2C9CYP19A1GPR119
SCHEMBL904607 0.76 PTGIR (0.46) NOS2GRIN2BCYP2D6CHRM2CHRM4
SCHEMBL904434 0.76 PTGIR (0.46) GRIN2BCYP2D6CYP2C9CYP3A4CHRM2
SCHEMBL904574 0.76 CYP2D6 (0.43) GRIN2BCYP2D6CYP2C9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621899-B1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2015-10-21 EP disclosed
US-8822463-B2 Methylcyclohexane derivatives and uses thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-02 US disclosed
US-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-22 US disclosed
EP-2621899-A2 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK Biopharmaceuticals Co., Ltd. (KR) 2013-08-07 EP disclosed
WO-2012044046-A2 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-04-05 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-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF OPRK1, OPRM1, OPRL1 NOS2 1768/4885GRIN2B 119/4885CYP2D6 708/4885

“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.