SCHEMBL1490530

SCHEMBL1490530

NC(=O)[N]Cc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
MIF P14174 1/20 0.50
GRIN2B Q13224 2/20 0.48
MAOB P27338 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP1 P09874 1/20 0.47
SLC1A1 P43005 2/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
NR3C2 P08235 1/20 0.44
KCNN4 O15554 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
MAPK8 P45983 1/20 0.43
SRC P12931 1/20 0.42

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
M-Fluorobenzylguanidine SCHEMBL4335227 0.78 TAAR1 (0.75) TAAR1MIFGRIN2BIDO1AGXT
SCHEMBL689470 0.77 GRIN2B (0.50) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2029757 0.76 MAPK8 (0.52) TAAR1MAOBPARP10PARP1SLC1A1
SCHEMBL12463716 0.75 MIF (0.58) TAAR1MIFGRIN2BIDO1AGXT
SCHEMBL2857831 0.73 TAAR1 (0.58) TAAR1MAOBPARP10PARP1SLC1A1
Carbamic Acid SCHEMBL11788880 0.73 SLC1A1 (0.51) TAAR1MAOBPARP10PARP1SLC1A1
SCHEMBL30344632 0.73 TAAR1 (0.58) TAAR1MAOBPARP10PARP1SLC1A1
SCHEMBL13358878 0.71 MAOB (0.48) TAAR1MAOBPARP10PARP1SLC1A1
SCHEMBL6901937 0.71 HCAR2 (0.60) TAAR1MAOBPARP10IDO1AGXT
SCHEMBL31173724 0.71 SRC (0.56) NR3C2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 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 (6 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-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TAAR1 3320/4885MIF 3580/4885GRIN2B 1008/4885
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TAAR1 3320/4885MIF 3580/4885GRIN2B 1008/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TAAR1 3320/4885MIF 3580/4885GRIN2B 1008/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 TAAR1 3320/4885MIF 3580/4885GRIN2B 1008/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TAAR1 3320/4885MIF 3580/4885GRIN2B 1008/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TAAR1 3320/4885MIF 3580/4885GRIN2B 1008/4885

“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.