SCHEMBL2856220

SCHEMBL2856220

O=C(O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 6/20 0.59
SLC6A7 Q99884 5/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL3076557 0.93 KDM4E (0.56) GAAKDM4EALDH1A1SLC6A7TSHR
SCHEMBL27580589 0.86 KDM4E (0.62) GAAKDM4EALDH1A1SLC6A7TSHR
SCHEMBL1919434 0.82 MEN1 (0.73) GAAKDM4EALDH1A1SLC6A7TSHR
SCHEMBL9558198 0.82 MEN1 (0.59) GAAKDM4EALDH1A1SLC6A7TSHR
SCHEMBL8362169 0.82 KDM4E (0.58) GAAKDM4EALDH1A1SLC6A7TSHR
SCHEMBL21553750 0.81 POLB (0.45) GAAKDM4EALDH1A1SLC6A7TSHR
SCHEMBL7365515 0.80 KDM4E (0.71) GAAKDM4EALDH1A1SLC6A7TSHR
SCHEMBL10498542 0.80 LMNA (0.70) GAAKDM4EALDH1A1TSHRCYP2C19
SCHEMBL6663539 0.80
SCHEMBL5368547 0.79 L3MBTL1 (0.49) GAAKDM4EALDH1A1SLC6A7L3MBTL1

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-5530121-A IMMUNOSUPPRESSANTS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-25 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
CN-101583600-A Acetylene derivatives as stearoyl-CoA desaturase inhibitors GLENMARK PHARMACEUTICALS SA (CH) 2009-11-18 CN disclosed
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
US-5559120-A IMMUNOSUPPRESSANTS, ANTIINFLAMMATORY AGENTS, FUNGICIDES AND ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-24 US disclosed
US-5530121-A IMMUNOSUPPRESSANTS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-25 US disclosed
US-5530007-A ANTITUMOR, ANTIINFLAMMATORY, ANTIFUNGAL, ANTIPROLIFERATIVE, IMMUNOSUPPRESSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-25 US disclosed
US-5508399-A USEFUL AS IMMUNOSUPPRESSANT, ANTIINFLAMMATORY, ANTIFUNGAL, ANTIPROLIFERATIVE AND ANTIUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-16 US disclosed
US-5480989-A Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-02 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA GAA 493/4885KDM4E 1815/4885ALDH1A1 578/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 GAA 4722/4885KDM4E 2869/4885ALDH1A1 3589/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 GAA 4722/4885KDM4E 2869/4885ALDH1A1 3589/4885

“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.