SCHEMBL2298022

SCHEMBL2298022

O=C(Oc1ccccc1)N1CCO[C@H](c2cccc(F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2C9 P11712 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 3/20 0.44
KMT2A Q03164 3/20 0.44
FAAH O00519 2/20 0.44
ALOX15 P16050 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.44
CYP2D6 P10635 1/20 0.44
USP30 Q70CQ3 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL2295467 1.00 EPHX1 (0.46) EPHX1HSD17B10USP2CYP3A4CYP2C9
SCHEMBL2299966 0.87 ALOX15 (0.53) EPHX1HSD17B10ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2297714 0.87 ALOX15 (0.53) EPHX1HSD17B10ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2293896 0.87 MGLL (0.47) CYP1A2FAAHCYP2D6RAB9A
SCHEMBL2298749 0.87 MGLL (0.47) CYP1A2FAAHCYP2D6RAB9A
SCHEMBL2296614 0.85 CYP1A2 (0.44) CYP3A4CYP2C9ALDH1A1CYP1A2TSHR
SCHEMBL2294195 0.85 CYP1A2 (0.44) CYP3A4CYP2C9ALDH1A1CYP1A2TSHR
SCHEMBL3369775 0.84 SCD5 (0.44) KMT2AUSP30NPC1MEN1SCD5
SCHEMBL4598876 0.84 SCD5 (0.44) KMT2AUSP30NPC1MEN1SCD5
SCHEMBL3375799 0.84 SCD5 (0.44) KMT2AUSP30NPC1MEN1SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 EPHX1 3754/4885HSD17B10 1902/4885USP2 3825/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 EPHX1 3754/4885HSD17B10 1902/4885USP2 3825/4885

“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.