SCHEMBL5230429

SCHEMBL5230429

CN1C(=O)N2CCNCC2(Cc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
HTR2C P28335 3/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 2/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
BACE1 P56817 1/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 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
SCHEMBL6695304 0.77 HTR2C (0.38) ELANEHTR2CHTR2AHTR2BSIGMAR1
SCHEMBL5231140 0.75 HTR2C (0.38) ELANEHTR2CHTR2AHTR2BSIGMAR1
SCHEMBL6691330 0.69 SIGMAR1 (0.38) ELANEHTR2CHTR2AHTR2BSIGMAR1
SCHEMBL10645739 0.69 ELANE (0.56) ELANEBACE1KMT2ATSHRMAPT
SCHEMBL8489022 0.69 HTR6 (0.39) ELANEHTR2CHTR2AHTR2BSIGMAR1
SCHEMBL5230057 0.68 ALDH1A1 (0.37) HTR2CHTR2AHTR2BCYP3A4CYP1A2
SCHEMBL2870036 0.68 SIGMAR1 (0.36) ELANEHTR2CHTR2AHTR2BSIGMAR1
SCHEMBL5227995 0.67 HTR2C (0.37) ELANEHTR2CHTR2BCYP3A4BACE1
SCHEMBL11380638 0.66 CYP2D6 (0.39) HTR2CHTR2AHTR2BSIGMAR1CYP3A4
SCHEMBL16865398 0.65 ELANE (0.45) ELANEBACE1KMT2AMAPT

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 17 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-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-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 (7 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 ELANE 924/4885HTR2C 992/4885HTR2A 563/4885
US-20020042415-A1 Dipeptide derivatives GIPR, GHRHR, GHSR ELANE 420/4885HTR2C 1093/4885HTR2A 663/4885
US-20010041703-A1 Dipeptide derivatives GIPR, GHRHR, GHSR ELANE 428/4885HTR2C 2168/4885HTR2A 1525/4885
US-20020002165-A1 Dipeptide derivatives GIPR, GHRHR, GHSR ELANE 420/4885HTR2C 1093/4885HTR2A 663/4885
US-20040006063-A1 Dipeptide derivatives GIPR, GHRHR, GHSR ELANE 468/4885HTR2C 1264/4885HTR2A 455/4885
US-20030216399-A1 Dipeptide derivatives GIPR, GHRHR, GHSR ELANE 420/4885HTR2C 1093/4885HTR2A 663/4885
US-20020065284-A1 Dipeptide derivatives GIPR, GHRHR, GHSR ELANE 420/4885HTR2C 1093/4885HTR2A 663/4885

“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.