SCHEMBL4084258

SCHEMBL4084258

C=CCN1CCN(CCCCC)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.44
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
FAAH O00519 2/20 0.34
MGLL Q99685 2/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 2/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 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
SCHEMBL9627129 0.80 HDAC3 (0.37) GAALMNA
SCHEMBL9848807 0.79 PLA2G2A (0.44) PLA2G2AGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL25023264 0.77 PLA2G2A (0.43) PLA2G2AGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL13607306 0.75 PIK3CD (0.55) PLA2G2AGNAI3GNAO1GNAI1ABCB1
SCHEMBL7872375 0.75 ALOX5 (0.43) FAAHMGLLGAA
SCHEMBL8762227 0.75 ALOX5 (0.43) FAAHMGLLGAA
SCHEMBL11038582 0.75 ALOX5 (0.43) FAAHMGLLGAA
SCHEMBL326954 0.75 GNAI3 (0.52) GNAI3GNAO1GNAI1GAAKDM4E
SCHEMBL9879851 0.74 MGLL (0.41) ALDH1A1FAAHMGLLGAATHRB
Propene SCHEMBL4084262 0.73 THRB (0.47) GNAI3GNAO1GNAI1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 US disclosed
EP-1549315-A4 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-05-23 EP disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 US disclosed
EP-1549315-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-07-06 EP disclosed
WO-2004024078-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2004-03-25 WO 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 (1 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-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors DHPS, DUT, CDKN1A PLA2G2A 3913/4885GNAI3 2182/4885GNAO1 2521/4885

“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.