SCHEMBL5227586

SCHEMBL5227586

CCc1nc2c(c(=O)[nH]1)CNCC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.49
TNKS2 Q9H2K2 2/20 0.42
TNKS O95271 1/20 0.42
SRC P12931 1/20 0.40
HTR2B P41595 8/20 0.36
HTR2A P28223 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.34
PARP1 P09874 2/20 0.33
PARP15 Q460N3 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL5228377 0.87 HTR2C (0.49) HTR2CTNKS2TNKSSRCHTR2B
SCHEMBL7162502 0.80 HTR2C (0.46) HTR2CTNKS2TNKSHTR2BHTR2A
SCHEMBL25431342 0.80 HPGD (0.41) HTR2CTNKS2TNKSHPGDPOLB
SCHEMBL18711813 0.78 HPGD (0.54) HTR2CSRCL3MBTL1TP53HPGD
SCHEMBL12050029 0.78 POLB (0.52) HPGDPOLBALDH1A1
SCHEMBL23642016 0.76 PDCD1 (0.40) HTR2CHTR2BHTR2A
SCHEMBL31351621 0.75 HTR2C (0.63) HTR2CTNKS2TNKSHTR2BHTR2A
SCHEMBL31128672 0.73 TNKS2 (0.54) TNKS2TNKSPARP1
SCHEMBL7783296 0.73 PARP1 (0.65) HTR2CTNKS2TNKSSRCL3MBTL1
SCHEMBL23972783 0.72 HTR2C (0.56) HTR2CTNKS2TNKSPOLBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024173343-A1 COMPOUNDS TARGETING HYDROXYSTEROID 17-BETA DEHYDROGENASE (HSD17B) AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-08-22 WO disclosed
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 HTR2C 992/4885TNKS2 4334/4885TNKS 4665/4885
US-20020042415-A1 Dipeptide derivatives GIPR, GHRHR, GHSR HTR2C 1093/4885TNKS2 4190/4885TNKS 4355/4885
US-20010041703-A1 Dipeptide derivatives GIPR, GHRHR, GHSR HTR2C 2168/4885TNKS2 4150/4885TNKS 4341/4885
US-20040006063-A1 Dipeptide derivatives GIPR, GHRHR, GHSR HTR2C 1264/4885TNKS2 4118/4885TNKS 4287/4885
US-20030216399-A1 Dipeptide derivatives GIPR, GHRHR, GHSR HTR2C 1093/4885TNKS2 4190/4885TNKS 4355/4885

“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.