SCHEMBL2123733

SCHEMBL2123733

CCOc1ccc(C#N)c(F)c1OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.42
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ XDH P47989 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SLC22A12 Q96S37 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PRNP P04156 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ BRCA1 P38398 1/20 0.35

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
SCHEMBL9405959 0.87 AR (0.45) ARCYP11B1CYP11B2XDHKDM4E
SCHEMBL1579020 0.79 AR (0.47) ARCYP11B1CYP11B2KDM4ELMNA
SCHEMBL13485290 0.77 AR (0.49) ARCYP11B1CYP11B2XDHCYP1A2
SCHEMBL1405776 0.77 LMNA (0.47) ARCYP11B1CYP11B2KDM4ELMNA
SCHEMBL9723142 0.76 ALDH1A1 (0.44) ARCYP11B1CYP11B2XDHKDM4E
SCHEMBL17028248 0.76 CYP11B1 (0.40) ARCYP11B1CYP11B2KDM4ELMNA
SCHEMBL27851238 0.76 KDM4E (0.40) ARCYP11B1CYP11B2KDM4ELMNA
SCHEMBL7508041 0.75 AR (0.43) ARKDM4ELMNACYP1A2CYP3A4
SCHEMBL14190820 0.74 ALDH1A1 (0.44) KDM4ELMNACYP1A2CYP2C19TUBB1
SCHEMBL10138488 0.74 TUBB1 (0.40) KDM4ECYP1A2CYP2C9CYP2C19TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658620-B2 Pharmaceutical composition, use of 2-iminopyrrolidine derivative for production of pharmaceutical composition, and kit for treatment or amelioration of heart diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-02-25 — — US disclosed
US-8658620-B2 Pharmaceutical composition, use of 2-iminopyrrolidine derivative for production of pharmaceutical composition, and kit for treatment or amelioration of heart diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-02-25 — — US disclosed
US-8658620-B2 Pharmaceutical composition, use of 2-iminopyrrolidine derivative for production of pharmaceutical composition, and kit for treatment or amelioration of heart diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-02-25 — — US disclosed
EP-2241315-B1 PHARMACEUTICAL COMPOSITION, USE OF 2-IMINOPYRROLIDINE DERIVATIVE FOR PRODUCTION OF PHARMACEUTICAL COMPOSITION, AND KIT FOR TREATMENT OR AMELIORATION OF HEART DISEASES EISAI R&D MAN CO LTD (JP) 2013-12-11 — — EP disclosed
EP-2444393-A1 Methods for producing cyclic benzamidine derivatives Eisai R&D Management Co., Ltd. (JP) 2012-04-25 — — EP disclosed
EP-2444393-A1 Methods for producing cyclic benzamidine derivatives Eisai R&D Management Co., Ltd. (JP) 2012-04-25 — — EP disclosed
US-20100286087-A1 PHARMACEUTICAL COMPOSITION, USE OF 2-IMINOPYRROLIDINE DERIVATIVE FOR PRODUCTION OF PHARMACEUTICAL COMPOSITION, AND KIT FOR TREATMENT OR AMELIORATION OF HEART DISEASES EISAI R&D MANAGEMENT CO, LTD. (JP) 2010-11-11 — — US disclosed
US-20100286087-A1 PHARMACEUTICAL COMPOSITION, USE OF 2-IMINOPYRROLIDINE DERIVATIVE FOR PRODUCTION OF PHARMACEUTICAL COMPOSITION, AND KIT FOR TREATMENT OR AMELIORATION OF HEART DISEASES EISAI R&D MANAGEMENT CO, LTD. (JP) 2010-11-11 — — US disclosed
US-20100286087-A1 PHARMACEUTICAL COMPOSITION, USE OF 2-IMINOPYRROLIDINE DERIVATIVE FOR PRODUCTION OF PHARMACEUTICAL COMPOSITION, AND KIT FOR TREATMENT OR AMELIORATION OF HEART DISEASES EISAI R&D MANAGEMENT CO, LTD. (JP) 2010-11-11 — — US disclosed
EP-2241315-A1 PHARMACEUTICAL COMPOSITION, USE OF 2-IMINOPYRROLIDINE DERIVATIVE FOR PRODUCTION OF PHARMACEUTICAL COMPOSITION, AND KIT FOR TREATMENT OR AMELIORATION OF HEART DISEASES Eisai R&D Management Co., Ltd. (JP) 2010-10-20 — — EP disclosed
EP-2241315-A1 PHARMACEUTICAL COMPOSITION, USE OF 2-IMINOPYRROLIDINE DERIVATIVE FOR PRODUCTION OF PHARMACEUTICAL COMPOSITION, AND KIT FOR TREATMENT OR AMELIORATION OF HEART DISEASES Eisai R&D Management Co., Ltd. (JP) 2010-10-20 — — EP disclosed
US-7375236-B2 Methods for producing cyclic benzamidine derivatives EISAI CO., LTD. (JP) 2008-05-20 — — US disclosed
US-7375236-B2 Methods for producing cyclic benzamidine derivatives EISAI CO., LTD. (JP) 2008-05-20 — — US disclosed
US-7375236-B2 Methods for producing cyclic benzamidine derivatives EISAI CO., LTD. (JP) 2008-05-20 — — US disclosed
US-20060058370-A1 Methods for producing cyclic benzamidine derivatives EISAI CO., LTD. (JP) 2006-03-16 — — US disclosed
EP-1602646-A1 PROCESSES FOR PRODUCING CYCLIC BENZAMIDINE DERIVATIVE Eisai Co., Ltd. (JP) 2005-12-07 — — EP 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-20100286087-A1 PHARMACEUTICAL COMPOSITION, USE OF 2-IMINOPYRROLIDINE DERIVATIVE FOR PRODUCTION OF PHARMACEUTICAL COMPOSITION, AND KIT FOR TREATMENT OR AMELIORATION OF HEART DISEASES KIT, TNNT2, TNNI3 AR 1929/4885CYP11B1 1330/4885CYP11B2 795/4885
US-20060058370-A1 Methods for producing cyclic benzamidine derivatives DDC, DEK, HDHD5 AR 2088/4885CYP11B1 1747/4885CYP11B2 1329/4885

“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.

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