SCHEMBL5226865

SCHEMBL5226865

CN1CC2CCNCC2(Cc2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
GBA1 P04062 1/20 0.36
ELANE P08246 2/20 0.35
BCHE P06276 1/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5227995 0.79 HTR2C (0.37) LMNAGBA1ELANECYP2D6SLC6A2
SCHEMBL5228859 0.75 GRM1 (0.41) GBA1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5227875 0.74 CHRM3 (0.46) BCHEBACE1CHRM2CHRM3
SCHEMBL7964992 0.69 PDE4A (0.38) LMNASMN1; SMN2
SCHEMBL5228056 0.68 GPR119 (0.46) LMNASMN1; SMN2PRKCGPRKCBPRKCA
SCHEMBL20402656 0.67 GAA (0.46) CYP2D6ALDH1A1TSHR
SCHEMBL20411087 0.67 GAA (0.46) CYP2D6ALDH1A1TSHR
SCHEMBL20411117 0.67 GAA (0.46) CYP2D6ALDH1A1TSHR
SCHEMBL20402657 0.67 GAA (0.46) CYP2D6ALDH1A1TSHR
SCHEMBL12093982 0.66 NR3C1 (0.44) GBA1CYP2D6SLC6A2SLC6A4SLC6A3

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 15 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-RE38524-E1 Dipeptide derivatives as growth hormone secretagogues PFIZER INC. 2004-06-01 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-6432945-B1 Dipeptide derivatives PFIZER INC. 2002-08-13 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-6429313-B2 Dipeptide derivatives PFIZER INC. 2002-08-06 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 LMNA 4431/4885GBA1 2251/4885ELANE 924/4885
US-20020042415-A1 Dipeptide derivatives GIPR, GHRHR, GHSR LMNA 2373/4885GBA1 3344/4885ELANE 420/4885
US-20010041703-A1 Dipeptide derivatives GIPR, GHRHR, GHSR LMNA 2746/4885GBA1 3616/4885ELANE 428/4885
US-20040006063-A1 Dipeptide derivatives GIPR, GHRHR, GHSR LMNA 4553/4885GBA1 3405/4885ELANE 468/4885
US-20030216399-A1 Dipeptide derivatives GIPR, GHRHR, GHSR LMNA 2373/4885GBA1 3344/4885ELANE 420/4885

“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.