SCHEMBL2152255

SCHEMBL2152255

COC(=O)c1cc(C2(O)CCNCC2)cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 3/20 0.41
NR4A2 P43354 1/20 0.39
CREBBP Q92793 1/20 0.39
MPL P40238 1/20 0.38
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
MAP2K1 Q02750 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALOX12 P18054 1/20 0.36

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
Tert-Butyl Formate SCHEMBL28780648 0.90 ALDH1A1 (0.40) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL12430233 0.86 DRD2 (0.39) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL12463873 0.83 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2152234 0.82 ALDH1A1 (0.45) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL28780646 0.81 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL24718054 0.79 DRD2 (0.45) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2153160 0.78 BACE1 (0.44) KDM4EALDH1A1HPGDNPSR1PKM
SCHEMBL2923904 0.74 OPRM1 (0.46) KDM4EMEN1KMT2AALDH1A1
SCHEMBL2152970 0.73 KDM4E (0.62) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2152428 0.73 TLR9 (0.47) KDM4EMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977339-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-07-12 US disclosed
US-7977339-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-07-12 US disclosed
EP-2010519-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-06 EP disclosed
EP-2010519-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-06 EP disclosed
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-12-09 US disclosed
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-12-09 US disclosed
US-7795265-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-7795265-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-7795265-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
WO-2007120655-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 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 (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-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GPR119 KDM4E 1977/4885MEN1 3251/4885KMT2A 3005/4885
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS CCKAR, CCKBR, GPR119 KDM4E 1977/4885MEN1 3251/4885KMT2A 3005/4885

“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.