SCHEMBL544848

SCHEMBL544848

CCCCCn1nnnc1N

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
SLC9A1 P19634 4/20 0.43
TLR8 Q9NR97 5/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL9872320 0.98 CYP1A2 (0.53) CYP1A2SLC9A1TLR8KMT2AMEN1
SCHEMBL1027818 0.98 CYP1A2 (0.53) CYP1A2SLC9A1TLR8KMT2AMEN1
SCHEMBL9871920 0.98 CYP1A2 (0.53) CYP1A2SLC9A1TLR8KMT2AMEN1
SCHEMBL9872492 0.98 CYP1A2 (0.53) CYP1A2SLC9A1TLR8KMT2AMEN1
SCHEMBL18496466 0.94 CYP1A2 (0.57) CYP1A2SLC9A1KMT2AMEN1HTT
SCHEMBL21270136 0.89 CYP1A2 (0.67) CYP1A2KMT2AMEN1HTTLMNA
SCHEMBL15323890 0.85
SCHEMBL21270138 0.84 CYP1A2 (0.67) CYP1A2KMT2AMEN1HTTLMNA
SCHEMBL21270133 0.79 CYP1A2 (0.73) CYP1A2KMT2AHTTLMNA
SCHEMBL2088514 0.79 P2RX7 (0.46) CYP1A2SLC9A1KMT2AMEN1HTT

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20110077265-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-03-31 US disclosed
US-20110046066-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-02-24 US disclosed
EP-2240506-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2010-10-20 EP disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
EP-2184281-A1 Phenyl-thiophene type vitamin D receptor modulators Eli Lilly & Company (US) 2010-05-12 EP disclosed
EP-1587905-A3 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-12-14 EP disclosed
EP-1587905-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
EP-1511740-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-09 EP disclosed
US-20040185539-A1 Process for the preparation of 2-hydroxymethyl-pyrolidine 3, 4-diols LONZA AG (CH) 2004-09-23 US disclosed
WO-2004063348-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
EP-1379676-A2 PROCESS FOR THE PREPARATION OF 2-HYDROXYMETHYL-PYROLIDINE-3,4-DIOLS LONZA AG (CH) 2004-01-14 EP disclosed
WO-2003101978-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-11 WO disclosed
WO-2002074737-A2 PROCESS FOR THE PREPARATION OF 2-HYDROXYMETHYL-PYROLIDINE-3,4-DIOLS LONZA AG (CH) 2002-09-26 WO disclosed
WO-1995014679-A1 TETRAZOLE-SUBSTITUTED UREA ACAT INHIBITORS PARKE, DAVIS & COMPANY (US) 1995-06-01 WO disclosed
US-5362744-A Treatnent of athrosclerosis, anticholesterol agents WARNER-LAMBERT COMPANY (US) 1994-11-08 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-20040185539-A1 Process for the preparation of 2-hydroxymethyl-pyrolidine 3, 4-diols HPD, DHPS, DPYD CYP1A2 133/4885SLC9A1 3050/4885TLR8 3225/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 CYP1A2 4834/4885SLC9A1 3236/4885TLR8 4624/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 CYP1A2 4837/4885SLC9A1 3057/4885TLR8 4604/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 CYP1A2 4837/4885SLC9A1 3057/4885TLR8 4604/4885
US-20110077265-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC2 CYP1A2 4719/4885SLC9A1 4659/4885TLR8 4625/4885

“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.