SCHEMBL5226852

SCHEMBL5226852

CCc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.57
CLPP Q16740 13/20 0.55
STARD3 Q14849 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
PARP1 P09874 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2C P28335 1/20 0.48
BLM P54132 1/20 0.47
RUNX1 Q01196 1/20 0.47
MCL1 Q07820 1/20 0.47
CBFB Q13951 1/20 0.47

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
SCHEMBL5262540 0.92 CLPP (0.65) SLC6A5CLPP
SCHEMBL4864912 0.87 SLC6A5 (0.54) SLC6A5CLPPSTARD3KDM4EALDH1A1
SCHEMBL3053501 0.86 SLC6A5 (0.58) SLC6A5CLPPSTARD3KDM4EALDH1A1
SCHEMBL721339 0.84 SLC6A5 (0.58) SLC6A5CLPPSTARD3KDM4EALDH1A1
SCHEMBL14086093 0.84 SLC6A5 (0.53) SLC6A5CLPPSTARD3KDM4EALDH1A1
SCHEMBL4871477 0.83 GAA (0.57) SLC6A5CLPPSTARD3KDM4EALDH1A1
SCHEMBL14107496 0.83 SLC6A5 (0.57) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL1622868 0.80 HTR2C (0.67) SLC6A5CLPPHTR2C
SCHEMBL172838 0.78 CLPP (0.50) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL1622784 0.78 CLPP (0.62) SLC6A5CLPPKDM4EALDH1A1POLB

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
EP-1001970-B1 DIPEPTIDE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUES PFIZER (US) 2007-03-07 EP disclosed
US-6953791-B2 Dipeptide derivatives PFIZER, INC. (US) 2005-10-11 US disclosed
US-6951850-B2 Dipeptide derivatives PFIZER, INC. (US) 2005-10-04 US disclosed
US-6924280-B2 Dipeptide derivatives PFIZER INC. (US) 2005-08-02 US disclosed
US-20040009984-A1 Increasing levels of endogenous growth hormone, especially treating osterporosis, aging frailty or congestive heart failure CARPINO PHILIP ALBERT (US) 2004-01-15 US disclosed
US-20040006063-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2004-01-08 US disclosed
US-20030216399-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2003-11-20 US disclosed
US-6525047-B2 Which are growth hormone secretogogues and increase the level of endogenous growth hormone; treating osteoporosis, congestive heart failure, frailty associated with aging, obesity; accelerating bone fracture repair PFIZER INC. 2003-02-25 US disclosed
US-6433171-B1 FOR OSTEOPOROSIS AND/OR FRAILTY, CONGESTIVE HEART FAILURE, FRAILTY ASSOCIATED WITH AGING, OBESITY; ACCELERATING BONE FRACTURE REPAIR, ATTENUATING PROTEIN CATABOLIC RESPONSE AFTER A MAJOR OPERATION, REDUCING CACHEXIA AND PROTEIN LOSS PFIZER INC. 2002-08-13 US disclosed
US-6432945-B1 Dipeptide derivatives PFIZER INC. 2002-08-13 US disclosed
US-20020042415-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2002-04-11 US disclosed
US-20010041703-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2001-11-15 US disclosed
US-6251902-B1 Dipeptide derivatives as growth hormone secretagogues PFIZER INC. 2001-06-26 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 (5 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-20040009984-A1 Increasing levels of endogenous growth hormone, especially treating osterporosis, aging frailty or congestive heart failure GHSR, GHRHR, GIPR SLC6A5 4076/4885CLPP 1217/4885STARD3 2518/4885
US-20020042415-A1 Dipeptide derivatives GIPR, GHRHR, GHSR SLC6A5 3991/4885CLPP 2123/4885STARD3 2777/4885
US-20010041703-A1 Dipeptide derivatives GIPR, GHRHR, GHSR SLC6A5 3957/4885CLPP 2322/4885STARD3 2489/4885
US-20040006063-A1 Dipeptide derivatives GIPR, GHRHR, GHSR SLC6A5 3396/4885CLPP 1224/4885STARD3 2338/4885
US-20030216399-A1 Dipeptide derivatives GIPR, GHRHR, GHSR SLC6A5 3991/4885CLPP 2123/4885STARD3 2777/4885

“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.