SCHEMBL5233107

SCHEMBL5233107

CO/C=C1/CCN(Cc2ccccc2)CC1(Cc1ccccc1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.43
ALDH1A1 P00352 3/20 0.43
TACR1 P25103 1/20 0.43
TACR3 P29371 1/20 0.43
NR3C1 P04150 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 3/20 0.40
CYP3A4 P08684 3/20 0.39
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5233110 1.00 CYP2D6 (0.43) CYP2D6ALDH1A1TACR1TACR3NR3C1
SCHEMBL7617784 0.91 NR3C1 (0.44) CYP2D6ALDH1A1NR3C1KDM4EGAA
SCHEMBL1618300 0.84 NR3C1 (0.48) CYP2D6ALDH1A1TACR1TACR3NR3C1
SCHEMBL5265862 0.81 CYP2D6 (0.44) CYP2D6ALDH1A1TACR1TACR3NR3C1
SCHEMBL5265856 0.81 CYP2D6 (0.44) CYP2D6ALDH1A1TACR1TACR3NR3C1
SCHEMBL5225914 0.80 STS (0.40) TACR1TACR3KDM4EPKM
SCHEMBL5225910 0.80 STS (0.40) TACR1TACR3KDM4EPKM
SCHEMBL2237372 0.79 NR3C1 (0.45) CYP2D6ALDH1A1TACR1TACR3NR3C1
SCHEMBL21465773 0.77 CYP2D6 (0.46) CYP2D6ALDH1A1NR3C1KDM4EGAA
SCHEMBL12487550 0.73 ABL1 (0.45) CYP2D6ALDH1A1NR3C1KDM4EGAA

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
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-6432945-B1 Dipeptide derivatives PFIZER INC. 2002-08-13 US disclosed
US-6429313-B2 Dipeptide derivatives PFIZER INC. 2002-08-06 US disclosed
US-20020065284-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2002-05-30 US disclosed
US-20020042415-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2002-04-11 US disclosed
US-20020002165-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2002-01-03 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 (6 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 CYP2D6 1161/4885ALDH1A1 3158/4885TACR1 255/4885
US-20020042415-A1 Dipeptide derivatives GIPR, GHRHR, GHSR CYP2D6 1702/4885ALDH1A1 3934/4885TACR1 218/4885
US-20020002165-A1 Dipeptide derivatives GIPR, GHRHR, GHSR CYP2D6 1702/4885ALDH1A1 3934/4885TACR1 218/4885
US-20040006063-A1 Dipeptide derivatives GIPR, GHRHR, GHSR CYP2D6 1103/4885ALDH1A1 3126/4885TACR1 176/4885
US-20030216399-A1 Dipeptide derivatives GIPR, GHRHR, GHSR CYP2D6 1702/4885ALDH1A1 3934/4885TACR1 218/4885
US-20020065284-A1 Dipeptide derivatives GIPR, GHRHR, GHSR CYP2D6 1702/4885ALDH1A1 3934/4885TACR1 218/4885

“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.