SCHEMBL2179048

SCHEMBL2179048

CCCCCOc1ccn(CCCN)c(=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MCHR1 Q99705 8/20 0.40
KCNH2 Q12809 1/20 0.40
HTR1A P08908 6/20 0.40
HTR1D P28221 6/20 0.40
HTR1B P28222 6/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2178414 0.93 TSHR (0.43) TSHRMCHR1KCNH2HTR1AHTR1D
SCHEMBL2177576 0.91 MCHR1 (0.43) TSHRMCHR1KCNH2MAPK14
SCHEMBL2174848 0.88 MCHR1 (0.43) TSHRMCHR1KCNH2MAPK14
SCHEMBL2177816 0.84 MCHR1 (0.46) MCHR1KDM4E
SCHEMBL2177993 0.82 MCHR1 (0.44) TSHRMCHR1KCNH2MAPK14
SCHEMBL2176025 0.80 RAB9A (0.52) MAPTTDP1KMT2ANPSR1
SCHEMBL2177697 0.80 MTNR1A (0.47) MAPK1
SCHEMBL27715960 0.79 MAPK14 (0.43) TSHRMAPK14
SCHEMBL2178043 0.79 SMPD1 (0.40) TSHRMCHR1MAPK14
SCHEMBL4583314 0.79 NPC1 (0.46) MCHR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT TSHR 3182/4885MCHR1 4586/4885KCNH2 1674/4885

“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.